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    CAS 111974-74-4

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    CAS 111974-74-4
    Also known as: 111974-74-4, 11-piperazinodibenzo[b,f][1,4]thiazepine dihydrochloride, Norquetiapine dihydrochloride, 11-piperazynil-dibenzo[b,f][1,4]thiazepine 2hcl, 11-(piperazin-1-yl)dibenzo[b,f][1,4]thiazepine dihydrochloride, 11-piperazin-1-yl-dibenzo[b,f][1,4]thiazepine dihydrochloride
    Molecular Formula
    C17H19Cl2N3S
    Molecular Weight
    368.3  g/mol
    InChI Key
    PZQCQHZDUIIKFU-UHFFFAOYSA-N
    FDA UNII
    7VJ4TC63IL
    1 2D Structure

    CAS 111974-74-4

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    6-piperazin-1-ylbenzo[b][1,4]benzothiazepine;dihydrochloride
    2.1.2 InChI
    InChI=1S/C17H17N3S.2ClH/c1-3-7-15-13(5-1)17(20-11-9-18-10-12-20)19-14-6-2-4-8-16(14)21-15;;/h1-8,18H,9-12H2;2*1H
    2.1.3 InChI Key
    PZQCQHZDUIIKFU-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CN(CCN1)C2=NC3=CC=CC=C3SC4=CC=CC=C42.Cl.Cl
    2.2 Other Identifiers
    2.2.1 UNII
    7VJ4TC63IL
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 111974-74-4

    2. 11-piperazinodibenzo[b,f][1,4]thiazepine Dihydrochloride

    3. Norquetiapine Dihydrochloride

    4. 11-piperazynil-dibenzo[b,f][1,4]thiazepine 2hcl

    5. 11-(piperazin-1-yl)dibenzo[b,f][1,4]thiazepine Dihydrochloride

    6. 11-piperazin-1-yl-dibenzo[b,f][1,4]thiazepine Dihydrochloride

    7. 7vj4tc63il

    8. Quetiapine Related Compound B

    9. N-des[2-(2-hydroxyethoxy)ethyl] Quetiapine Dihydrochloride

    10. Mfcd08703302

    11. 11-piperazin-1-yl-dibenzo[b,f][1,4]thiazepine 2hcl

    12. Dibenzo[b,f][1,4]thiazepine, 11-(1-piperazinyl)-, Dihydrochloride

    13. 11-piperazin-1-yldibenzo(b,f)(1,4)thiazepine Dihydrochloride

    14. 6-piperazin-1-ylbenzo[b][1,4]benzothiazepine;dihydrochloride

    15. 11-(1-piperazinyl)dibenzo[b,f][1,4]thiazepine Dihydrochloride

    16. Unii-7vj4tc63il

    17. 11-(1-piperazinyl)-dibenzo(b,f)(1,4)thiazepine Dihydrochloride

    18. Norquetiapine 2hcl

    19. Ec 700-276-9

    20. Schembl8507

    21. Dtxsid60600505

    22. 11-(1-piperazinyl)-dibenzo[b,f][1,4]thiazepinedihydrochloride

    23. Bcp14824

    24. Akos015895322

    25. Ac-1919

    26. Cs-w021295

    27. Ks-5300

    28. Sb30701

    29. 10-(piperazin-1-yl)-2-thia-9- Azatricyclo(9.4.0.0^(3,8))pentadeca- 1(15),3,5,7,9,11,13-heptaene Dihydrochloride

    30. Sy046613

    31. Db-005659

    32. Am20020202

    33. Ft-0600381

    34. Quetiapine Related Compound B [usp-rs]

    35. 974p744

    36. Q-200098

    37. Quetiapine Related Compound B [usp Impurity]

    38. Q27268910

    39. 11-(1-piperazinyl)-dibenzo[b,f][1,4]thiazepine 2hcl

    40. 11-piperazinyldibenzo[b,f][1,4]thiazepine Dihydrochloride

    41. 11-(piperazinyl)-dibenzo[b,f][1,4]thiazepinedihydrochloride

    42. 11-piperazynil-dibenzo [b,f][1,4]thiazepine Dihydrochloride

    43. (e)-11-(piperazin-1-yl)dibenzo[b,f][1,4]thiazepine Dihydrochloride

    44. 11-(piperazin-1-yl)dibenzo[b,f][1,4]thiazepine--hydrogen Chloride (1/2)

    2.4 Create Date
    2007-12-05
    3 Chemical and Physical Properties
    Molecular Weight 368.3 g/mol
    Molecular Formula C17H19Cl2N3S
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count1
    Exact Mass367.0676742 g/mol
    Monoisotopic Mass367.0676742 g/mol
    Topological Polar Surface Area52.9 Ų
    Heavy Atom Count23
    Formal Charge0
    Complexity392
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count3
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                                Quetiapine Hemifumarate
                                Established in 2006, SPC Lifesciences is a truly knowledge driven and fully integrated pharmaceutical com...
                                Established in 2006, SPC Lifesciences is a truly knowledge driven and fully integrated pharmaceutical company creating global solutions. We are a dynamic chemical synthesis company associated with the pharmaceutical and life sciences industry. For projects that involve complex chemistry and technological excellence & Import substitutes, we have a team that has a proven track record delivering - every time. We are the leading manufacturer & exporter of a broad range of pharmaceutical active ingredients and intermediates which are extensively used in various finished doses & research laboratories.
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                                Synaptic Labs

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                                  Dibenzo[b,f][1,4]thiazepin-11(10H)-one

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                                  3159-07-7
                                  Quetiapine Hemifumarate
                                  Synaptics Labs Private Limited is a young Pharmaceutical Company with a fully integrated and globally spe...
                                  Synaptics Labs Private Limited is a young Pharmaceutical Company with a fully integrated and globally specialized in the development, production and marketing of API’s "Active Pharmaceuticals Ingredients" and its advanced Intermediates, thanks to our focus on satisfying our customers' requirements and supporting the consolidation of a robust infrastructure. The Company promoted by a team of technocrats holding a master’s degree in pharmaceuticals and who have been involved in different Pharmaceutical companies since 24years.
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                                  Vasudha Pharma Chem Limited

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                                  Dibenzo[b,f][1,4]-thiazepin-11-amine Hydrochloride

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                                  1176987-11-3
                                  Quetiapine Hemifumarate
                                  VASUDHA PHARMA CHEM LIMITED was incorporated, as a public limited company under the Companies Act, 1956 i...
                                  VASUDHA PHARMA CHEM LIMITED was incorporated, as a public limited company under the Companies Act, 1956 in 1994-95 at Hyderabad in the state of Telangana, India. The company is engaged in the manufacturing of Active Pharmaceutical Ingredients (APIs), Pharma Intermediates for catering to the Global market. Initially, the focus was on the development of cost effective processes for several intermediates related to piperidone & piperidine derivatives. By 2003-04, the company gained world class expertise and became the largest manufacturer of piperidone & piperidine derivatives in the world.
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                                  Xuchang Hengsheng Pharmaceutical

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                                    Dibenzo[b,f][1,4]Thiazepine-11-[10H]One

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                                    3159-07-7
                                    Quetiapine Hemifumarate
                                    Xuchang Hengsheng Pharmaceutical Co., Ltd. was founded in January 2005 and was formally established in Ja...
                                    Xuchang Hengsheng Pharmaceutical Co., Ltd. was founded in January 2005 and was formally established in January 2007. It is located in the Fine Chemical Park of Jian'an District, Xuchang City, Henan Province. It is a company that integrates the development and production of solid preparations, pharmaceutical raw materials and intermediates A high-tech enterprise integrating sales and marketing.
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                                    ZCL CHEMICALS LTD

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                                    Dibenzo [b, f] [1, 4] thiazepin- 11(10H)-one

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                                    3159-07-7
                                    Quetiapine Hemifumarate
                                    ZCL Chemicals Ltd is an 100% Export Oriented Unit (EOU) that combines the power of science & technology. ...
                                    ZCL Chemicals Ltd is an 100% Export Oriented Unit (EOU) that combines the power of science & technology. Established in 1991, the company head quarter is in Mumbai .The R&D Center and cGMP-manufacturing facility is in the Industrial heart of Ankleshwar city in Gujarat, 300 k.m. North of Mumbai, well connected by Road, Rail and Air enabling swift cargo movement to the nearest major sea/airport being Mumbai. The Company delivers a broad range of advance fine chemical intermediates and active.
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                                    veranova-m-2024-04-22

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

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