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    Ozagrel Hydrochloride

    ACTIVE PHARMA INGREDIENTS

    REF. STANDARDS & IMPURITIES

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 78712-43-3, Ozagrel hcl, Oky 046, 74003-18-2, Oky-046, (e)-3-(4-((1h-imidazol-1-yl)methyl)phenyl)acrylic acid hydrochloride
    Molecular Formula
    C13H13ClN2O2
    Molecular Weight
    264.71  g/mol
    InChI Key
    CWKFWBJJNNPGAM-IPZCTEOASA-N
    FDA UNII
    W222U960HS
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (E)-3-[4-(imidazol-1-ylmethyl)phenyl]prop-2-enoic acid;hydrochloride
    2.1.2 InChI
    InChI=1S/C13H12N2O2.ClH/c16-13(17)6-5-11-1-3-12(4-2-11)9-15-8-7-14-10-15;/h1-8,10H,9H2,(H,16,17);1H/b6-5+;
    2.1.3 InChI Key
    CWKFWBJJNNPGAM-IPZCTEOASA-N
    2.1.4 Canonical SMILES
    C1=CC(=CC=C1CN2C=CN=C2)C=CC(=O)O.Cl
    2.1.5 Isomeric SMILES
    C1=CC(=CC=C1CN2C=CN=C2)/C=C/C(=O)O.Cl
    2.2 Other Identifiers
    2.2.1 UNII
    W222U960HS
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 3-(4-(1h-imidazol-1-ylmethyl)phenyl)-2-propenoic Acid

    2. 4-(1-imidazoylmethyl)cinnamic Acid

    3. Oky 046

    4. Oky-046

    5. Ozagrel

    6. Ozagrel, Monohydrochloride

    7. Ozagrel, Monohydrochloride, (e)-isomer

    8. Sodium Ozagrel

    2.3.2 Depositor-Supplied Synonyms

    1. 78712-43-3

    2. Ozagrel Hcl

    3. Oky 046

    4. 74003-18-2

    5. Oky-046

    6. (e)-3-(4-((1h-imidazol-1-yl)methyl)phenyl)acrylic Acid Hydrochloride

    7. Chebi:31954

    8. W222u960hs

    9. Ozagrel (hydrochloride)

    10. (e)-3-[4-(imidazol-1-ylmethyl)phenyl]prop-2-enoic Acid;hydrochloride

    11. Dsstox_cid_25506

    12. Dsstox_rid_80920

    13. Dsstox_gsid_45506

    14. Chembl542549

    15. (2e)-3-[4-(1h-imidazol-1-ylmethyl)phenyl]-2-propenoic Acid Hydrochloride

    16. Smr000469164

    17. Sr-01000597793

    18. Unii-w222u960hs

    19. (2e)-3-(4-(1h-imidazol-1-ylmethyl)phenyl)-2-propenoic Acid Hydrochloride

    20. (e)-3-(4-(1h-imidazol-1-ylmethyl)phenyl)-2-propenoic Acid Hydrochloride

    21. Oky046 Hydrochloride

    22. Cpd000469164

    23. Ncgc00016937-01

    24. Cas-78712-43-3

    25. Oky-046 Hcl

    26. Schembl36182

    27. Schembl36183

    28. Ozagrel Hydrochloride- Bio-x

    29. Mls001401435

    30. Mls002222319

    31. Dtxsid9045506

    32. Hy-b0428b

    33. Hms1571c19

    34. Hms3412f19

    35. Hms3676f19

    36. Ozagrel Hydrochloride [mi]

    37. Bcp09493

    38. Tox21_110693

    39. S2067

    40. Akos015895402

    41. Ozagrel Hydrochloride [who-dd]

    42. Tox21_110693_1

    43. Ccg-100969

    44. Nc00219

    45. 2-propenoic Acid, 3-(4-(1h-imidazol-1-ylmethyl)phenyl)-, Monohydrochloride, (e)-

    46. Ncgc00025195-06

    47. Bo164219

    48. Ds-11967

    49. Ls-14196

    50. B2116

    51. Cs-0013156

    52. O0419

    53. Sw197369-4

    54. Sr-01000597793-1

    55. Sr-01000597793-4

    56. Q27114733

    57. Trans-4-[(1-imidazolyl)methyl]cinnamic Acid Hydrochloride

    58. (e)-3-[4-(imidazol-1-ylmethyl)phenyl]propenoic Acid Hydrochloride

    59. (2e)-3-{4-[(1h-imidazol-1-yl)methyl]phenyl}prop-2-enoic Acid Hydrochloride

    2.4 Create Date
    2006-04-28
    3 Chemical and Physical Properties
    Molecular Weight 264.71 g/mol
    Molecular Formula C13H13ClN2O2
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count4
    Exact Mass264.0665554 g/mol
    Monoisotopic Mass264.0665554 g/mol
    Topological Polar Surface Area55.1 Ų
    Heavy Atom Count18
    Formal Charge0
    Complexity283
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count1
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Fibrinolytic Agents

    Fibrinolysin or agents that convert plasminogen to FIBRINOLYSIN. (See all compounds classified as Fibrinolytic Agents.)

    Enzyme Inhibitors

    Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction. (See all compounds classified as Enzyme Inhibitors.)

    Histamine Antagonists

    Drugs that bind to but do not activate histamine receptors, thereby blocking the actions of histamine or histamine agonists. Classical antihistaminics block the histamine H1 receptors only. (See all compounds classified as Histamine Antagonists.)