FR-20950

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H29N4O4S.Cl
Molecular Weight	456.987
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Cl-].[H][C@]12[C@@H](C)C(S[C@@H]3CN[C@H](CC[N+]4=CN(C)C=C4)C3)=C(N1C(=O)[C@]2([H])[C@@H](C)O)C(O)=O

InChI

InChIKey=HIDJUWQZUFUZTP-RALWWNRDSA-N

InChI=1S/C20H28N4O4S.ClH/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;1H/t11-,12-,13-,14+,15-,16-;/m1./s1

HIDE SMILES / InChI

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

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

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 `Sat Dec 16 09:17:00 UTC 2023` Edited by `admin` on `Sat Dec 16 09:17:00 UTC 2023`
Record UNII	1Z66WP2W94
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

FR-20950

Common Name

English

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

Systematic Name

English

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-, CHLORIDE

Systematic 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-, CHLORIDE (1:1)

Systematic Name

English

Code System Code Type Description

PUBCHEM

9804121

Created by admin on Sat Dec 16 09:17:00 UTC 2023 , Edited by admin on Sat Dec 16 09:17:00 UTC 2023

PRIMARY

FDA UNII

1Z66WP2W94

Created by admin on Sat Dec 16 09:17:00 UTC 2023 , Edited by admin on Sat Dec 16 09:17:00 UTC 2023

PRIMARY

CAS

156443-34-4

Created by admin on Sat Dec 16 09:17:00 UTC 2023 , Edited by admin on Sat Dec 16 09:17:00 UTC 2023

PRIMARY

Related Record Type Details


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FR-20950 CATION

ACTIVE MOIETY