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Orbofiban

Orbofiban structure

Orbofiban 

structure
  • CAS No:

    163250-90-6

  • Formula:

    C17H23N5O4

  • Chemical Name:

    Orbofiban

  • Synonyms:

    β-Alanine,N-[[[(3S)-1-[4-(aminoiminomethyl)phenyl]-2-oxo-3-pyrrolidinyl]amino]carbonyl]-,ethyl ester;β-Alanine,N-[[[1-[4-(aminoiminomethyl)phenyl]-2-oxo-3-pyrrolidinyl]amino]carbonyl]-,ethyl ester,(S)-;Orbofiban

Orbofiban Basic Attributes

361.4 g/mol

361.40

FGJ53JS7PT

DTXSID20167543

Characteristics

138 Ų

Drug Information

N(((3)-1-(p-amidino-phenyl)-2-oxo-3-pyrrolidinyl)carbamoyl)-beta-alanine,ethyl ester, monoacetate quadrantihydrate

Computed Properties

Molecular Weight:361.4
XLogP3:-0.2
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:8
Exact Mass:361.17500423
Monoisotopic Mass:361.17500423
Topological Polar Surface Area:138
Heavy Atom Count:26
Complexity:545
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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