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Details

Stereochemistry ABSOLUTE
Molecular Formula C17H23N5O4.C2H4O2
Molecular Weight 421.4476
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ORBOFIBAN ACETATE ANHYDROUS

SMILES

CC(O)=O.CCOC(=O)CCNC(=O)N[C@H]1CCN(C1=O)C2=CC=C(C=C2)C(N)=N

InChI

InChIKey=PKHRWVBUJHJCLV-ZOWNYOTGSA-N
InChI=1S/C17H23N5O4.C2H4O2/c1-2-26-14(23)7-9-20-17(25)21-13-8-10-22(16(13)24)12-5-3-11(4-6-12)15(18)19;1-2(3)4/h3-6,13H,2,7-10H2,1H3,(H3,18,19)(H2,20,21,25);1H3,(H,3,4)/t13-;/m0./s1

HIDE SMILES / InChI

Approval Year

Name Type Language
ORBOFIBAN ACETATE ANHYDROUS
Common Name English
.BETA.-ALANINE, N-((((3S)-1-(4-(AMINOIMINOMETHYL)PHENYL)-2-OXO-3-PYRROLIDINYL)AMINO)CARBONYL)-, ETHYL ESTER, MONOACETATE
Preferred Name English
.BETA.-ALANINE, N-(((1-(4-(AMINOIMINOMETHYL)PHENYL)-2-OXO-3-PYRROLIDINYL)AMINO)CARBONYL)-, ETHYL ESTER (S)-, MONOACETATE
Common Name English
Orbofiban acetate [WHO-DD]
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID80167544
Created by admin on Mon Mar 31 21:24:59 GMT 2025 , Edited by admin on Mon Mar 31 21:24:59 GMT 2025
PRIMARY
FDA UNII
KXH3TSO8AS
Created by admin on Mon Mar 31 21:24:59 GMT 2025 , Edited by admin on Mon Mar 31 21:24:59 GMT 2025
PRIMARY
SMS_ID
100000085919
Created by admin on Mon Mar 31 21:24:59 GMT 2025 , Edited by admin on Mon Mar 31 21:24:59 GMT 2025
PRIMARY
PUBCHEM
178079
Created by admin on Mon Mar 31 21:24:59 GMT 2025 , Edited by admin on Mon Mar 31 21:24:59 GMT 2025
PRIMARY
CAS
163250-91-7
Created by admin on Mon Mar 31 21:24:59 GMT 2025 , Edited by admin on Mon Mar 31 21:24:59 GMT 2025
PRIMARY