FR-20950 CATION

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H29N4O4S
Molecular Weight	421.534
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	1

SHOW SMILES / InChI

Structure Search

SMILES

C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(S[C@@H]3CN[C@H](CC[N+]4=CN(C)C=C4)C3)=C(N2C1=O)C(O)=O

InChI

InChIKey=CRNWXUGAWPTSAN-YTQIUSBHSA-O

InChI=1S/C20H28N4O4S/c1-11-16-15(12(2)25)19(26)24(16)17(20(27)28)18(11)29-14-8-13(21-9-14)4-5-23-7-6-22(3)10-23/h6-7,10-16,21,25H,4-5,8-9H2,1-3H3/p+1/t11-,12-,13-,14+,15-,16-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C20H28N4O4S
Molecular Weight	420.526
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:36:22 GMT 2025` Edited by `admin` on `Mon Mar 31 22:36:22 GMT 2025`
Record UNII	KNB2WR7Y1D
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

1H-IMIDAZOLIUM, 1-(2-((2R,4S)-4-(((4R,5S,6S)-2-CARBOXY-6-((1R)-1-HYDROXYETHYL)-4-METHYL-7-OXO-1-AZABICYCLO(3.2.0)HEPT-2-EN-3-YL)THIO)-2-PYRROLIDINYL)ETHYL)-3-METHYL-

Preferred Name

English

FR-20950 CATION

Common Name

English

1H-IMIDAZOLIUM, 3-(2-((2R,4S)-4-(((4R,5S,6S)-2-CARBOXY-6-((1R)-1-HYDROXYETHYL)-4-METHYL-7-OXO-1-AZABICYCLO(3.2.0)HEPT-2-EN-3-YL)THIO)-2-PYRROLIDINYL)ETHYL)-1-METHYL-

Systematic Name

English

Code System Code Type Description

FDA UNII

KNB2WR7Y1D

Created by admin on Mon Mar 31 22:36:22 GMT 2025 , Edited by admin on Mon Mar 31 22:36:22 GMT 2025

PRIMARY

CAS

737733-54-9

Created by admin on Mon Mar 31 22:36:22 GMT 2025 , Edited by admin on Mon Mar 31 22:36:22 GMT 2025

PRIMARY

PUBCHEM

9804122

Created by admin on Mon Mar 31 22:36:22 GMT 2025 , Edited by admin on Mon Mar 31 22:36:22 GMT 2025

PRIMARY

Related Record Type Details


					KNB2WR7Y1D

FR-20950 CATION

ACTIVE MOIETY