ORBOFIBAN ACETATE ANHYDROUS

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

Structure Search

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

Molecular Formula	C17H23N5O4
Molecular Weight	361.3956
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	C2H4O2
Molecular Weight	60.052
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:24:58 GMT 2025` Edited by `admin` on `Mon Mar 31 21:24:58 GMT 2025`
Record UNII	KXH3TSO8AS
Record Status	`Validated (UNII)`
Record Version

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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