U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C11H13N2O6S2.Na
Molecular Weight 356.35
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SCH-34343 SODIUM

SMILES

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

InChI

InChIKey=DFRJGQBVJIXNJU-LAHZDFTNSA-M
InChI=1S/C11H14N2O6S2.Na/c1-4(14)5-7(15)13-6(9(16)17)10(21-8(5)13)20-3-2-19-11(12)18;/h4-5,8,14H,2-3H2,1H3,(H2,12,18)(H,16,17);/q;+1/p-1/t4-,5+,8-;/m1./s1

HIDE SMILES / InChI

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

Molecular Formula C11H13N2O6S2
Molecular Weight 333.361
Charge -1
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:19:15 GMT 2023
Edited
by admin
on Fri Dec 15 15:19:15 GMT 2023
Record UNII
SH1V2HHM4V
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SCH-34343 SODIUM
Code English
SCH34343 SODIUM
Code English
4-THIA-1-AZABICYCLO(3.2.0)HEPT-2-ENE-2-CARBOXYLIC ACID, 3-((2-((AMINOCARBONYL)OXY)ETHYL)THIO)-6-((1R)-1-HYDROXYETHYL)-7-OXO-, MONOSODIUM SALT, (5R,6S)-
Systematic Name English
Code System Code Type Description
PUBCHEM
23677991
Created by admin on Fri Dec 15 15:19:15 GMT 2023 , Edited by admin on Fri Dec 15 15:19:15 GMT 2023
PRIMARY
FDA UNII
SH1V2HHM4V
Created by admin on Fri Dec 15 15:19:15 GMT 2023 , Edited by admin on Fri Dec 15 15:19:15 GMT 2023
PRIMARY
CAS
94392-35-5
Created by admin on Fri Dec 15 15:19:15 GMT 2023 , Edited by admin on Fri Dec 15 15:19:15 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY