ORBOFIBAN ACETATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	4C17H23N5O4.4C2H4O2.H2O
Molecular Weight	1703.8056
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O.CC(O)=O.CC(O)=O.CC(O)=O.CC(O)=O.CCOC(=O)CCNC(=O)N[C@H]1CCN(C1=O)C2=CC=C(C=C2)C(N)=N.CCOC(=O)CCNC(=O)N[C@H]3CCN(C3=O)C4=CC=C(C=C4)C(N)=N.CCOC(=O)CCNC(=O)N[C@H]5CCN(C5=O)C6=CC=C(C=C6)C(N)=N.CCOC(=O)CCNC(=O)N[C@H]7CCN(C7=O)C8=CC=C(C=C8)C(N)=N

InChI

InChIKey=SVMJTTTTYFMATC-QSGPNNMYSA-N

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

HIDE SMILES / InChI

Molecular Formula	H2O
Molecular Weight	18.0153
Charge	0
Count

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

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 18:07:39 GMT 2025` Edited by `admin` on `Mon Mar 31 18:07:39 GMT 2025`
Record UNII	UP77J8QOVX
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ORBOFIBAN ACETATE

Official Name

English

SC-57099B

Preferred Name

English

N-(((3S)-1-(P-AMIDINOPHENYL)-2-OXO-3-PYRROLIDINYL)CARBAMOYL)-.BETA.-ALANINE, ETHYL ESTER, MONOACETATE QUADRANTIHYDRATE

Common Name

English

ORBOFIBAN ACETATE [MART.]

Common Name

English

.BETA.-ALANINE, N-(((1-(4-(AMINOIMINOMETHYL)PHENYL)-2-OXO-3-PYRROLIDINYL)AMINO)CARBONYL)-, ETHYL ESTER (S)-, MONOACETATE, HYDRATE (4:1)

Common Name

English

.BETA.-ALANINE, N-((((3S)-1-(4-(AMINOIMINOMETHYL)PHENYL)-2-OXO-3-PYRROLIDINYL)AMINO)CARBONYL)-, ETHYL ESTER, ACETATE, HYDRATE (4:4:1)

Common Name

English

ORBOFIBAN ACETATE [USAN]

Common Name

English

Code System Code Type Description

FDA UNII

UP77J8QOVX