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    CAS 287930-77-2

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    CAS 287930-77-2
    Also known as: 142569-70-8, 287930-77-2, (s)-1-(3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)-3-(2-(2-hydroxypropan-2-yl)phenyl)propan-1-ol, Montelukast alcohol, Ca9lm1i3ym, 2-[3-(s)-[3-(2-(7-chloro-2-quinolinyl)ethenyl)phenyl]-3-hydroxypropyl]phenyl-2-propanol
    Molecular Formula
    C29H28ClNO2
    Molecular Weight
    458.0  g/mol
    InChI Key
    ZSHIDKYITZZTLA-FCPABOFRSA-N
    FDA UNII
    CA9LM1I3YM
    1 2D Structure

    CAS 287930-77-2

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (1S)-1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propan-1-ol
    2.1.2 InChI
    InChI=1S/C29H28ClNO2/c1-29(2,33)26-9-4-3-7-21(26)13-17-28(32)23-8-5-6-20(18-23)10-15-25-16-12-22-11-14-24(30)19-27(22)31-25/h3-12,14-16,18-19,28,32-33H,13,17H2,1-2H3/b15-10+/t28-/m0/s1
    2.1.3 InChI Key
    ZSHIDKYITZZTLA-FCPABOFRSA-N
    2.1.4 Canonical SMILES
    CC(C)(C1=CC=CC=C1CCC(C2=CC=CC(=C2)C=CC3=NC4=C(C=CC(=C4)Cl)C=C3)O)O
    2.1.5 Isomeric SMILES
    CC(C)(C1=CC=CC=C1CC[C@@H](C2=CC=CC(=C2)/C=C/C3=NC4=C(C=CC(=C4)Cl)C=C3)O)O
    2.2 Other Identifiers
    2.2.1 UNII
    CA9LM1I3YM
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 142569-70-8

    2. 287930-77-2

    3. (s)-1-(3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)-3-(2-(2-hydroxypropan-2-yl)phenyl)propan-1-ol

    4. Montelukast Alcohol

    5. Ca9lm1i3ym

    6. 2-[3-(s)-[3-(2-(7-chloro-2-quinolinyl)ethenyl)phenyl]-3-hydroxypropyl]phenyl-2-propanol

    7. Montelukast (3s)-hydroxy Propanol

    8. (1s)-1-[3-[(e)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propan-1-ol

    9. (s,e)-1-(3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)-3-(2-(2-hydroxypropan-2-yl)phenyl)propan-1-ol

    10. (1s)-1-[3-[(e)-2-(7-chloro-2-quinolyl)vinyl]phenyl]-3-[2-(1-hydroxy-1-methyl-ethyl)phenyl]propan-1-ol

    11. 2-(2-(3(s)-(3-(7-chloro-2-quinolinyl)ethenyl)phenyl)-3-hydroxypropyl)phenyl-2-propanol

    12. (s)-1-(3-((e)-2-(7-chloro-2-quinolinyl)ethenyl)phenyl)-3-(2-(1-hydroxy-1-methylethyl)phenyl)-1-propanol

    13. (1s)-1-[3-[(e)-2-(7-chloro-2-quinolyl)ethenyl]phenyl]-3-[2-(1-hydroxy-1-methylethyl)phenyl]propan-1-ol

    14. (1s)-1-{3-[(e)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl}-3-[2-(2-hydroxypropan-2-yl)phenyl]propan-1-ol

    15. (alphas)-alpha-(3-((1e)-2-(7-chloro-2-quinolinyl)ethenyl)phenyl)-2-(1-hydroxy-1-methylethyl)benzenepropanol

    16. (alphas)-alpha-[3-[(1e)-2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-2-(1-hydroxy-1-methylethyl)benzenepropanol

    17. (s)-1-[3-[(e)-2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-[2-(1-hydroxy-1-methylethyl)phenyl]-1-propanol

    18. Benzenepropanol, Alpha-(3-((1e)-2-(7-chloro-2-quinolinyl)ethenyl)phenyl)-2-(1-hydroxy-1-methylethyl)-, (alphas)-

    19. Benzenepropanol, Alpha-[3-[(1e)-2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-2-(1-hydroxy-1-methylethyl)-, (alphas)-

    20. Unii-ca9lm1i3ym

    21. Schembl201920

    22. Schembl201921

    23. Montelukast Sodium Intermediate Mk5

    24. Mfcd09038584

    25. Zinc21297983

    26. Akos015896143

    27. Cs-w009644

    28. Ds-1367

    29. Benzenepropanol,a-[3-[2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-2-(1-hydroxy-1-methylethyl)-, (s)-

    30. D70533

    31. 569c708

    32. J-505415

    33. J-507648

    34. (.alpha.s)-.alpha.-(3-((1e)-2-(7-chloro-2-quinolinyl)ethenyl)phenyl)-2-(1-hydroxy-1-methylethyl)benzenepropanol

    35. (1s)-1-[3-[(e)-2-(7-chloro-(s)-1-(3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)-3-(2-(2-hydroxypropan-2-yl)phenyl)propan-1-ol

    36. (alphas)-alpha-[2-(1-hydroxy-1-methylethyl)phenethyl]-3-[2-(7-chloro-2-quinolinyl)vinyl]benzenemethanol

    37. (s)-1-[3-[2-(7-chloro-2-quinolyl)vinyl]phenyl]-3-[2-(2-hydroxy-2-propyl)phenyl]-1-propanol

    38. (s)-alpha-[3-[2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-2-(1-hydroxy-1-methylethyl)benzenepropanol

    39. 2-(2-(3(s)-(3-(2-(7-chloro-2-quinolinyl)-ethenyl)phenyl)-3-hydroxypropyl)phenyl)-2-propanol

    40. 2-(2-(3(s)-(3-(2-(7-chloro-2-quinolinyl)ethenyl)phenyl)- 3-hydroxypropyl)phenyl)-2-propanol

    41. Benzenepropanol, .alpha.-(3-((1e)-2-(7-chloro-2-quinolinyl)ethenyl)phenyl)-2-(1-hydroxy-1-methylethyl)-, (.alpha.s)-

    42. Benzenepropanol,

    43. A-[3-[2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-2-(1-hydroxy-1-methylethyl)-, (

    44. As)-

    2.4 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 458.0 g/mol
    Molecular Formula C29H28ClNO2
    XLogP36.3
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count7
    Exact Mass457.1808568 g/mol
    Monoisotopic Mass457.1808568 g/mol
    Topological Polar Surface Area53.4 Ų
    Heavy Atom Count33
    Formal Charge0
    Complexity637
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count1
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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                                      Methyl-2-[3-[3-[3-(7-Chloroquinoline-2-Yl) Ethenyl]Phen...

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                                      Venlafaxine
                                      Hoventa Pharma is in the business of manufacturing APIs for over three decades.We offer various kinds of ...
                                      Hoventa Pharma is in the business of manufacturing APIs for over three decades.We offer various kinds of services in addition to supplies of APIs, we undertake long-term contracts for manufacturing intermediates and development of new Active Pharmaceutical Ingredients as per your requirement. We have a sharp focus on giving value added services to our customers cost effectively. We are supplying APIs to the global pharmaceutical companies in India and abroad since the last 3 decades. Some of our major customers operate in India and export to their products to other countries.
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                                      Hoventa Pharma

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                                        Isopropyl Homoveratronitrile

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                                        Venlafaxine
                                        Hoventa Pharma is in the business of manufacturing APIs for over three decades.We offer various kinds of ...
                                        Hoventa Pharma is in the business of manufacturing APIs for over three decades.We offer various kinds of services in addition to supplies of APIs, we undertake long-term contracts for manufacturing intermediates and development of new Active Pharmaceutical Ingredients as per your requirement. We have a sharp focus on giving value added services to our customers cost effectively. We are supplying APIs to the global pharmaceutical companies in India and abroad since the last 3 decades. Some of our major customers operate in India and export to their products to other countries.
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                                        Hoventa Pharma

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                                          1-[Cyano-(4-Methoxyphenyl)Methyl] Cyclohexanol 1- Hydro...

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                                          Venlafaxine
                                          Hoventa Pharma is in the business of manufacturing APIs for over three decades.We offer various kinds of ...
                                          Hoventa Pharma is in the business of manufacturing APIs for over three decades.We offer various kinds of services in addition to supplies of APIs, we undertake long-term contracts for manufacturing intermediates and development of new Active Pharmaceutical Ingredients as per your requirement. We have a sharp focus on giving value added services to our customers cost effectively. We are supplying APIs to the global pharmaceutical companies in India and abroad since the last 3 decades. Some of our major customers operate in India and export to their products to other countries.
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                                          Hoventa Pharma

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                                            Methyl2-(3-(3-(2-(7-Chloro 2 Quinolinyl) Ethenyl ) Phen...

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                                            Montelukast Sodium
                                            Hoventa Pharma is in the business of manufacturing APIs for over three decades.We offer various kinds of ...
                                            Hoventa Pharma is in the business of manufacturing APIs for over three decades.We offer various kinds of services in addition to supplies of APIs, we undertake long-term contracts for manufacturing intermediates and development of new Active Pharmaceutical Ingredients as per your requirement. We have a sharp focus on giving value added services to our customers cost effectively. We are supplying APIs to the global pharmaceutical companies in India and abroad since the last 3 decades. Some of our major customers operate in India and export to their products to other countries.
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                                            Hoventa Pharma

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                                              1- 2-Amino-1-(4-Methoxyphenyl) Ethyl Cyclohexanol Hydro...

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                                              Venlafaxine
                                              Hoventa Pharma is in the business of manufacturing APIs for over three decades.We offer various kinds of ...
                                              Hoventa Pharma is in the business of manufacturing APIs for over three decades.We offer various kinds of services in addition to supplies of APIs, we undertake long-term contracts for manufacturing intermediates and development of new Active Pharmaceutical Ingredients as per your requirement. We have a sharp focus on giving value added services to our customers cost effectively. We are supplying APIs to the global pharmaceutical companies in India and abroad since the last 3 decades. Some of our major customers operate in India and export to their products to other countries.
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                                              Kopalle Pharma Chemicals

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                                              2-[1-(Mercaptomethyl)cyclopropyl]acetic acid

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                                              162515-68-6
                                              Montelukast Sodium
                                              Kopalle Pharma is a trusted manufacturer of Active Pharma Ingredients (API’s) & Intermediates. Kopalle ...
                                              Kopalle Pharma is a trusted manufacturer of Active Pharma Ingredients (API’s) & Intermediates. Kopalle Pharma Chemicals Pvt Ltd is an ISO 9001:2015 Certified Company and has a GMP Certified manufacturing facility at Jeedimetla, Hyderabad.
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                                              Luna Chemicals

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                                                1-(Mercaptomethyl) cyclopropane acetic acid

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                                                162515-68-6
                                                Montelukast Sodium
                                                LUNA Chemicals Co.,Ltd. markets and manufactures world-class quality Active Pharmaceutical Ingredients an...
                                                LUNA Chemicals Co.,Ltd. markets and manufactures world-class quality Active Pharmaceutical Ingredients and intermediate chemicals for generic pharmaceutical companies. Our Development Team focus strategically on the core therapeutic areas: cardiovascular, anti-depressant, allergic, healthcare and plant extraction. We provide technical support and efficient regulatory documentation for manufacturers, intellectual property(IP) was always carefully considered as well. We also provide excellent outsourcing services to customers and laboratory support.
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                                                Luna Chemicals

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                                                  3-(4-Chlorbutyl)-1H-indol-5-carbonitril

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                                                  143612-79-7
                                                  Venlafaxine
                                                  LUNA Chemicals Co.,Ltd. markets and manufactures world-class quality Active Pharmaceutical Ingredients an...
                                                  LUNA Chemicals Co.,Ltd. markets and manufactures world-class quality Active Pharmaceutical Ingredients and intermediate chemicals for generic pharmaceutical companies. Our Development Team focus strategically on the core therapeutic areas: cardiovascular, anti-depressant, allergic, healthcare and plant extraction. We provide technical support and efficient regulatory documentation for manufacturers, intellectual property(IP) was always carefully considered as well. We also provide excellent outsourcing services to customers and laboratory support.
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                                                  Morepen Laboratories

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                                                  [(R)-(E)]-1-[[[-1-[3-[2-(7-chloro-2-quinolinyl) ethenyl...

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                                                  577953-88-9
                                                  Montelukast Sodium
                                                  Morepen Laboratories Ltd.’ is 31 years old company. Went to public in 1993. Manufacturer and Exporter o...
                                                  Morepen Laboratories Ltd.’ is 31 years old company. Went to public in 1993. Manufacturer and Exporter of complex and high margins molecules (APIs/Intermediates) for regulated markets of USA, Europe, Russia, Canada and also for non-regulated markets. The first Morepen manufacturing plant was set up on the foothills of the Himalayas in the idyllic surroundings of Parwanoo. The large and spread-out facility is USDFA approved for manufacture of Loratadine, an anti-allergy drug- internationally known as Claritin.
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                                                  Nanjing Joyin Pharmachem Co, ltd

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                                                    2-[1-(Merocaptomethyl)Cyclopropyl]Acetic Acid

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                                                    162515-68-6
                                                    Montelukast Sodium
                                                    We specialize in the supply of API and API related intermediates and services. A significant part of our ...
                                                    We specialize in the supply of API and API related intermediates and services. A significant part of our business comes from the process/production development tailored to our customers' requirement.We see our core-value in our top-of-the-rank R&D capabilities, strict quality system, fast communication with accuracy and 15years of continued dedication to pharmaceutical and chemical industries.We take pride in the long term partnership with our reputed customers, and feel truly fortunate to work with mutual and respect. We constantly strive to keep up with their ever increasing expectation, to ensure we are worthy of their trust and reliance.
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                                                    Nantong Chem-land

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                                                      1-(mercaptomethyl)cyclopropane acetic acid

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                                                      162515-68-6
                                                      Montelukast Sodium
                                                      Nantong Chem-land Co., Ltd. is located in Nantong city, a developed port city which distance from Shangha...
                                                      Nantong Chem-land Co., Ltd. is located in Nantong city, a developed port city which distance from Shanghai is only 1.5 hours by car. Established in 2006, we have developed quickly into a comprehensive entity engaged in and marketing, developing and manufacturing of Active Pharmaceutical Ingredients, intermediates and fine chemicals.Our collaboration production site is in the national chemical park in our city: Nantong Rudong Yangkou Chemical park. Available test instrument in the production site: IR, UV, HPLC, GC, etc.. Production equipment: More than 50 reactors, size from 1L to 3000L , reaction temperature from -10℃ to +300℃.
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                                                      Nantong Chem-land

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                                                        Methyl 1-(Mercaptomethyl)cyclopropaneacetate

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                                                        152922-73-1
                                                        Montelukast Sodium
                                                        Nantong Chem-land Co., Ltd. is located in Nantong city, a developed port city which distance from Shangha...
                                                        Nantong Chem-land Co., Ltd. is located in Nantong city, a developed port city which distance from Shanghai is only 1.5 hours by car. Established in 2006, we have developed quickly into a comprehensive entity engaged in and marketing, developing and manufacturing of Active Pharmaceutical Ingredients, intermediates and fine chemicals.Our collaboration production site is in the national chemical park in our city: Nantong Rudong Yangkou Chemical park. Available test instrument in the production site: IR, UV, HPLC, GC, etc.. Production equipment: More than 50 reactors, size from 1L to 3000L , reaction temperature from -10℃ to +300℃.
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                                                        Nantong Chem-land

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                                                          1-(Hydroxy methyl)cyclopropane acetonitrile

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                                                          152922-71-9
                                                          Montelukast Sodium
                                                          Nantong Chem-land Co., Ltd. is located in Nantong city, a developed port city which distance from Shangha...
                                                          Nantong Chem-land Co., Ltd. is located in Nantong city, a developed port city which distance from Shanghai is only 1.5 hours by car. Established in 2006, we have developed quickly into a comprehensive entity engaged in and marketing, developing and manufacturing of Active Pharmaceutical Ingredients, intermediates and fine chemicals.Our collaboration production site is in the national chemical park in our city: Nantong Rudong Yangkou Chemical park. Available test instrument in the production site: IR, UV, HPLC, GC, etc.. Production equipment: More than 50 reactors, size from 1L to 3000L , reaction temperature from -10℃ to +300℃.
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                                                          Riddhi Pharma

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                                                            METHYL MAGNESIUM CHLORIDE 3 MOLAR IN THF

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                                                            676-58-4
                                                            Montelukast Sodium
                                                            Riddhi Pharma was set up in 1997 as a Manufacturer of API’s Intermediates and Fine Chemicals, especiall...
                                                            Riddhi Pharma was set up in 1997 as a Manufacturer of API’s Intermediates and Fine Chemicals, especially in the field of Friedel Crafts Reaction / Bromination and Chlorination. The establishment of the company itself was motivated by a strong desire to provide Quality Bulk API’s Intermediates in the most cost-effective way. Right our inception, we are focused on exploiting the potential of the Pharmaceutical Industry and our articulate vision has made us a significant player in Bulk API’s Sector.
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                                                            Shandong Huayang Pharmaceutical

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                                                              Methyl 2-iodobenzoate

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                                                              610-97-9
                                                              Montelukast Sodium
                                                              Shandong Huayang Pharmaceutical Co., Ltd./Juye Xiandai Fine Chemical Co., Ltd began operations in 2009 wi...
                                                              Shandong Huayang Pharmaceutical Co., Ltd./Juye Xiandai Fine Chemical Co., Ltd began operations in 2009 within the chemical industry hub of Juye County, Heze City, Shandong Province. As a nationally recognized high-tech enterprise, we specialize in the research, development, and production of Active Pharmaceutical Ingredients (APIs) and intermediates. Our facilities span a combined area exceeding 145,200 square meters across two plants.
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                                                              V & V Pharma Industries

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                                                                7-Chloroquinaldine

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                                                                4965-33-7
                                                                Montelukast Sodium
                                                                V & V Pharma Industries is a Manufacturer & Exporter of Active Pharmaceutical Ingredients (API's), Pharma...
                                                                V & V Pharma Industries is a Manufacturer & Exporter of Active Pharmaceutical Ingredients (API's), Pharmaceutical Intermediates & Specialty Chemicals. V & V Pharma Industries is continuously engaged in the development of emerging technologies in collaboration with many Institutes & industrial centers of excellence. We have worked extensively and developed innovative technologies in the area of APIs intermediates Technology. Our innovative team of chemists has a proven track record in: process development, process optimization and scale-up.
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                                                                Vio Chemicals

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                                                                  1-[2-Amino-1-(4-methoxyphenyl)ethyl] cyclohexanol HCl

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                                                                  130198-05-9
                                                                  Venlafaxine
                                                                  A Swiss chemical company specialized in custom design, development, production & sourcing of specialty ch...
                                                                  A Swiss chemical company specialized in custom design, development, production & sourcing of specialty chemicals, intermediates and Active Pharmaceutical Ingredients. Driven by technological innovation and our passion for chemistry, we apply inspired science to create complete solutions for your business. With over 25 years of experience in highly regulated markets and a vast network of suppliers and manufacturing partners in Europe, Asia and the Americas, we are dedicated to excellence at every step, from the moment we conceive an idea to the moment we bring your product into the market. Excellence made in Switzerland, trusted by the world.
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                                                                  Zenfold Sustainable Technologies

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                                                                    1-(Mercaptomethyl) cyclopropaneacetic Acid

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                                                                    162515-68-6
                                                                    Montelukast Sodium
                                                                    Zenfold Sustainable Technologies (ZST) is a specialty and fine chemicals company, established in 2021. Ou...
                                                                    Zenfold Sustainable Technologies (ZST) is a specialty and fine chemicals company, established in 2021. Our advanced technological capabilities and state-of-the-art infrastructure allow us to provide the entire gamut of services involved in manufacturing and contract research — from process development to scaling up. We offer a wide range of APIs and intermediates to customers across industries. We differentiate ourselves in the market with our unique hybridized approach to manufacturing, built on our three core technological platforms: Synthetic Biology, Biotransformation, and Green Chemistry.
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                                                                    euroapi-m-2024-05-06

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                                                                    Minakem offers CDMO services for API & HPAPI, generics, regulatory expertise, track record performance & FDA & GMP certifications.

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