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Substance Name: Orbofiban acetate [USAN]
RN: 165800-05-5
UNII: UP77J8QOVX
InChIKey: SVMJTTTTYFMATC-QSGPNNMYSA-N

Classification Codes

  • Antithrombotic
  • Platelet Aggregation Inhibitor

Molecular Formula

  • C17-H23-N5-O4.C2-H4-O2.1/4H2-O

Molecular Weight

  • 1703.82
 
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Names and Synonyms

Name of Substance

  • Orbofiban
  • Orbofiban acetate [USAN]

Synonyms

  • beta-Alanine, N-(((1-(4-(aminoiminomethyl)phenyl)-2-oxo-3-pyrrolidinyl)amino)carbonyl)-, ethyl ester (S)-, monoacetate, hydrate (4:1)
  • N-(((3S)-1-(p-Amidinophenyl)-2-oxo-3-pyrrolidinyl)carbamoyl)-beta-alanine, ethyl ester, monoacetate quadrantihydrate
  • Orbofiban acetate
  • Orbofiban acetate hydrate
  • SC-57099B
  • UNII-UP77J8QOVX

Systematic Names

  • beta-Alanine, N-((((3S)-1-(4-(aminoiminomethyl)phenyl)-2-oxo-3-pyrrolidinyl)amino)carbonyl)-, ethyl ester, acetate, hydrate (4:4:1)
  • beta-alanine, N-(((1-(4-(aminoiminomethyl)phenyl)-2-oxo-3-pyrrolidinyl)amino)carbonyl)-, ethyl ester, (S)-, monoacetate, hydrate (4:1)

Registry Numbers

CAS Registry Number

  • 165800-05-5

FDA UNII

  • UP77J8QOVX

System Generated Number

  • 0165800055

Molecular Formulas

Molecular Formula

  • C17-H23-N5-O4.C2-H4-O2.1/4H2-O

Molecular Formula Fragments

  • C17-H23-N5-O4
  • C2-H4-O2
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

InChI=1S/4C17H23N5O4.4C2H4O2.H2O/c4*1-2-26-14(23)7-9-20-17(25)21-13-8-10-22(16(13)24)12-5-3-11(4-6-12)15(18)19;4*1-2(3)4;/h4*3-6,13H,2,7-10H2,1H3,(H3,18,19)(H2,20,21,25);4*1H3,(H,3,4);1H2/t4*13-;;;;;/m0000...../s1

InChIKey

SVMJTTTTYFMATC-QSGPNNMYSA-N

Smiles

O.CCOC(=O)CCNC(=O)N[C@H]1CCN(C1=O)c2ccc(cc2)C(=N)N.CCOC(=O)CCNC(=O)N[C@H]3CCN(C3=O)c4ccc(cc4)C(=N)N.CCOC(=O)CCNC(=O)N[C@H]5CCN(C5=O)c6ccc(cc6)C(=N)N.CCOC(=O)CCNC(=O)N[C@H]7CCN(C7=O)c8ccc(cc8)C(=N)N.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O