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    Vorozole

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
    Xls

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    2D Structure
    Also known as: Vorozole, 129731-10-8, R-83842, 1e2s9yxv2a, R 83842, 6-[(s)-(4-chlorophenyl)-(1,2,4-triazol-1-yl)methyl]-1-methylbenzotriazole
    Molecular Formula
    C16H13ClN6
    Molecular Weight
    324.77  g/mol
    InChI Key
    XLMPPFTZALNBFS-INIZCTEOSA-N
    FDA UNII
    1E2S9YXV2A
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    6-[(S)-(4-chlorophenyl)-(1,2,4-triazol-1-yl)methyl]-1-methylbenzotriazole
    2.1.2 InChI
    InChI=1S/C16H13ClN6/c1-22-15-8-12(4-7-14(15)20-21-22)16(23-10-18-9-19-23)11-2-5-13(17)6-3-11/h2-10,16H,1H3/t16-/m0/s1
    2.1.3 InChI Key
    XLMPPFTZALNBFS-INIZCTEOSA-N
    2.1.4 Canonical SMILES
    CN1C2=C(C=CC(=C2)C(C3=CC=C(C=C3)Cl)N4C=NC=N4)N=N1
    2.1.5 Isomeric SMILES
    CN1C2=C(C=CC(=C2)[C@H](C3=CC=C(C=C3)Cl)N4C=NC=N4)N=N1
    2.2 Other Identifiers
    2.2.1 UNII
    1E2S9YXV2A
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. (n-methyl-(11c))vorozole

    2. 6-((4-chlorophenyl)-(1h-1,2,4-triazol-1-yl)methyl)-1-methyl-1h-benzotriazole

    3. R 76713

    4. R 83839

    5. R 83842

    6. R-76713

    7. R-83839

    8. R-83842

    9. Vorozole

    10. Vorozole, (+)-isomer

    2.3.2 Depositor-Supplied Synonyms

    1. Vorozole

    2. 129731-10-8

    3. R-83842

    4. 1e2s9yxv2a

    5. R 83842

    6. 6-[(s)-(4-chlorophenyl)-(1,2,4-triazol-1-yl)methyl]-1-methylbenzotriazole

    7. Vorozolum

    8. Vorozol

    9. 1h-benzotriazole, 6-((4-chlorophenyl)-1h-1,2,4-triazol-1-ylmethyl)-1-methyl-, (s)-

    10. (s)-6-((4-chlorophenyl)(1h-1,2,4-triazol-1-yl)methyl)-1-methyl-1h-benzo[d][1,2,3]triazole

    11. Vorozol [inn-spanish]

    12. Vorozolum [inn-latin]

    13. Unii-1e2s9yxv2a

    14. Vorozole [usan:inn:ban]

    15. Ccris 7482

    16. Rivizor (tn)

    17. Vorozole [usan]

    18. Vorozole (usan/inn)

    19. Vorozole [inn]

    20. Vorozole [mi]

    21. (s)-vorozole

    22. Vorozole [mart.]

    23. Vorozole [who-dd]

    24. Schembl4554

    25. Chembl224060

    26. Dtxsid20156230

    27. Chebi:135387

    28. Bcp04202

    29. Zinc3791538

    30. Bdbm50378780

    31. Db13767

    32. (+)-(s)-6-(p-chloro-alpha-1h-1,2,4-triazol-1-ylbenzyl)-1-methyl-1h-benzotriazole

    33. R76713

    34. Hy-19599

    35. Bcp0726000088

    36. Cs-0015881

    37. D03786

    38. R-83942

    39. Q7941876

    40. (+)-(s)-6-(p-chloro-a-1h-1,2,4-triazol-1-ylbenzyl)-1-methyl-1h-benzotriazole

    41. (+)-6-[(4-chlorophenyl)(1h-1,2,4-triazol-1-yl)methyl]-1-methyl-1h- Benzotriazole

    42. (s)-6-[(4-chlorophenyl)-(1,2,4-triazol-1-yl)methyl]-1-methylbenzotriazole

    43. 1-methyl-6-[(s)-alpha-(1h-1,2,4-triazol-1-yl)-4-chlorobenzyl]-1h-benzotriazole

    2.4 Create Date
    2006-07-28
    3 Chemical and Physical Properties
    Molecular Weight 324.77 g/mol
    Molecular Formula C16H13ClN6
    XLogP33.1
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count3
    Exact Mass324.0890221 g/mol
    Monoisotopic Mass324.0890221 g/mol
    Topological Polar Surface Area61.4 Ų
    Heavy Atom Count23
    Formal Charge0
    Complexity402
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Antineoplastic Agents

    Substances that inhibit or prevent the proliferation of NEOPLASMS. (See all compounds classified as Antineoplastic Agents.)

    Aromatase Inhibitors

    Compounds that inhibit AROMATASE in order to reduce production of estrogenic steroid hormones. (See all compounds classified as Aromatase Inhibitors.)

    4.2 ATC Code

    L - Antineoplastic and immunomodulating agents

    L02 - Endocrine therapy

    L02B - Hormone antagonists and related agents

    L02BG - Aromatase inhibitors

    L02BG05 - Vorozole