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    CAS 3173-53-3
    Also known as: Isocyanatocyclohexane, 3173-53-3, Cyclohexane, isocyanato-, Cyclohexylisocyanate, Isocyanato-cyclohexane, Isocyanic acid, cyclohexyl ester
    Molecular Formula
    C7H11NO
    Molecular Weight
    125.17  g/mol
    InChI Key
    KQWGXHWJMSMDJJ-UHFFFAOYSA-N
    FDA UNII
    T699595BLW
    1 2D Structure

    CAS 3173-53-3

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    isocyanatocyclohexane
    2.1.2 InChI
    InChI=1S/C7H11NO/c9-6-8-7-4-2-1-3-5-7/h7H,1-5H2
    2.1.3 InChI Key
    KQWGXHWJMSMDJJ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CCC(CC1)N=C=O
    2.2 Other Identifiers
    2.2.1 UNII
    T699595BLW
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Cyclohexylisocyanate

    2.3.2 Depositor-Supplied Synonyms

    1. Isocyanatocyclohexane

    2. 3173-53-3

    3. Cyclohexane, Isocyanato-

    4. Cyclohexylisocyanate

    5. Isocyanato-cyclohexane

    6. Isocyanic Acid, Cyclohexyl Ester

    7. Nsc 87419

    8. Chebi:136604

    9. T699595blw

    10. Nsc-87419

    11. Chi

    12. Einecs 221-639-3

    13. Un2488

    14. Unii-t699595blw

    15. Ai3-28283

    16. Isocyanic Acid Cyclohexyl Ester

    17. Hsdb 8037

    18. Cyclohexyl-isocyanate

    19. Socyanato-cyclohexane

    20. Isocyanato Cyclohexane

    21. 1-isocyanato Cyclohexane

    22. Dsstox_cid_5464

    23. Epitope Id:120375

    24. Ec 221-639-3

    25. Schembl8620

    26. Cyclohexyl Isocyanate, 98%

    27. Dsstox_rid_77796

    28. Dsstox_gsid_25464

    29. Chembl26886

    30. Cyclohexyl Isocyanate; >99%

    31. Dtxsid8025464

    32. Cyclohexyl Ester Of Isocyanic Acid

    33. Amy37189

    34. Nsc87419

    35. Zinc1562082

    36. Tox21_200234

    37. Mfcd00003840

    38. Stl146740

    39. Akos000119299

    40. Ab00329

    41. Un 2488

    42. Ncgc00090947-01

    43. Ncgc00090947-02

    44. Ncgc00090947-03

    45. Ncgc00257788-01

    46. Ls-13297

    47. Cas-3173-53-3

    48. Cyclohexyl Isocyanate [un2488] [poison]

    49. Ft-0624229

    50. I0122

    51. E78839

    52. A820971

    53. Q1147530

    54. F2190-0543

    55. Isocyanatocyclohexane Isocyanic Acid Cyclohexyl Ester Chi

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 125.17 g/mol
    Molecular Formula C7H11NO
    XLogP32.8
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count1
    Exact Mass125.084063974 g/mol
    Monoisotopic Mass125.084063974 g/mol
    Topological Polar Surface Area29.4 Ų
    Heavy Atom Count9
    Formal Charge0
    Complexity121
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 Mechanism of Action

    ... Preincubation of BCNU, CCNU, and methyl-CCNU with calmodulin produced a concentration-dependent inhibition of in vitro calmodulin activity expressed as stimulation of cyclic nucleotide phosphodiesterase. Cyclohexylisocyanate produced a similar inhibition. ...

    PMID:2982510 Harrison SD Jr et al; Cancer Chemother Pharmacol 14 (2): 146-9 (1985)

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                                    Omeprazole
                                    Srini Pharmaceuticals Pvt. Ltd., was established in 1995. USFDA, TGA and KFDA approved fully integrated g...
                                    Srini Pharmaceuticals Pvt. Ltd., was established in 1995. USFDA, TGA and KFDA approved fully integrated global pharmaceutical company, located just about 60 KM's away from the Pharma Capital of India, Hyderabad. Our manufacturing facility has five fully equipped production blocks with most efficient functional utilities with multiple clean rooms having the ability to produce 10 API's at a time, supported by central quality control laborites with all sophisticated instruments by maintaining complete QMS.
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                                    Synthetic Molecules Private Limited

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                                      4-(2-Amino Ethyl) Benzene Sulfonamide

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                                      35303-76-5
                                      Glibenclamide
                                      Synthetic Molecules Pvt. Ltd (SMPL) is glad to introduce ourselves as established pharmaceutical manufact...
                                      Synthetic Molecules Pvt. Ltd (SMPL) is glad to introduce ourselves as established pharmaceutical manufacture & reputed trading house catering the ranges of Intermediates, Active Pharma Ingredients, Vitamins & Speciality Chemicals to Domestic as well as international market. We have entered the business in year 2003. Our indulgence in pharma market under the leadership of Mr. Kishor Thakur, having a vast experience in this field for more than 23 years, has allowed us to create close relations with the various world wide pharma industries.
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                                      Vio Chemicals

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                                        2-Chloromethyl-3,5-dimethyl-4-methoxy pyridine HCl

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                                        86604-75-3
                                        Omeprazole
                                        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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                                        Vio Chemicals

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                                          2-Mercapto-5-methoxy benzimidazole

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                                          37052-78-1
                                          Omeprazole
                                          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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                                          Vio Chemicals

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                                            2-Hydroxymethyl-3,5-dimethyl-4-methoxy pyridine

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                                            86604-78-6
                                            Omeprazole
                                            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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                                            polpharma-m-2024-04-15

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                                            LGM Pharma accelerates & optimizes the new product pathway from early development through commercialization.

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