SCH- 29482 SODIUM

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C10H12NO4S2.Na
Molecular Weight	297.326
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].[H][C@]12SC(SCC)=C(N1C(=O)[C@]2([H])[C@@H](C)O)C([O-])=O

InChI

InChIKey=UDMXULBKWGQUSA-LAHZDFTNSA-M

InChI=1S/C10H13NO4S2.Na/c1-3-16-10-6(9(14)15)11-7(13)5(4(2)12)8(11)17-10;/h4-5,8,12H,3H2,1-2H3,(H,14,15);/q;+1/p-1/t4-,5+,8-;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C10H12NO4S2
Molecular Weight	274.337
Charge	-1
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	Na
Molecular Weight	22.9898
Charge	1
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 `Fri Dec 15 15:01:55 GMT 2023` Edited by `admin` on `Fri Dec 15 15:01:55 GMT 2023`
Record UNII	TK9X77FBI5
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SCH- 29482 SODIUM

Code

English

4-THIA-1-AZABICYCLO(3.2.0)HEPT-2-ENE-2-CARBOXYLIC ACID, 3-(ETHYLTHIO)-6-((1R)-1-HYDROXYETHYL)-7-OXO-, MONOSODIUM SALT, (5R,6S)-

Systematic Name

English

Code System Code Type Description

FDA UNII

TK9X77FBI5

Created by admin on Fri Dec 15 15:01:55 GMT 2023 , Edited by admin on Fri Dec 15 15:01:55 GMT 2023

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PUBCHEM

23683713

Created by admin on Fri Dec 15 15:01:55 GMT 2023 , Edited by admin on Fri Dec 15 15:01:55 GMT 2023

PRIMARY

CAS

77646-84-5

Created by admin on Fri Dec 15 15:01:55 GMT 2023 , Edited by admin on Fri Dec 15 15:01:55 GMT 2023

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EPA CompTox

DTXSID70228294

Created by admin on Fri Dec 15 15:01:55 GMT 2023 , Edited by admin on Fri Dec 15 15:01:55 GMT 2023

PRIMARY

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