Orbofiban acetate
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Orbofiban acetate
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CAS No:
163250-91-7
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Formula:
C17H23N5O4.C2H4O2
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Chemical Name:
Orbofiban acetate
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Synonyms:
β-Alanine,N-[[[(3S)-1-[4-(aminoiminomethyl)phenyl]-2-oxo-3-pyrrolidinyl]amino]carbonyl]-,ethyl ester,monoacetate;β-Alanine,N-[[[1-[4-(aminoiminomethyl)phenyl]-2-oxo-3-pyrrolidinyl]amino]carbonyl]-,ethyl ester,(S)-,monoacetate;SC 57099B;Orbofiban acetate
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CAS No:
Drug Information
N(((3)-1-(p-amidino-phenyl)-2-oxo-3-pyrrolidinyl)carbamoyl)-beta-alanine,ethyl ester, monoacetate quadrantihydrate
Computed Properties
Molecular Weight:421.4
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:8
Exact Mass:421.19613360
Monoisotopic Mass:421.19613360
Topological Polar Surface Area:175
Heavy Atom Count:30
Complexity:576
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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