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

Details

Stereochemistry RACEMIC
Molecular Formula C5H9O3S.Na
Molecular Weight 172.178
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SODIUM 2-HYDROXY-4-(METHYLTHIO)BUTANOATE

SMILES

[Na+].CSCCC(O)C([O-])=O

InChI

InChIKey=JNATWEVVLQFGLU-UHFFFAOYSA-M
InChI=1S/C5H10O3S.Na/c1-9-3-2-4(6)5(7)8;/h4,6H,2-3H2,1H3,(H,7,8);/q;+1/p-1

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 C5H9O3S
Molecular Weight 149.188
Charge -1
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:16:04 UTC 2023
Edited
by admin
on Fri Dec 15 15:16:04 UTC 2023
Record UNII
154Z6J20MM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SODIUM 2-HYDROXY-4-(METHYLTHIO)BUTANOATE
Systematic Name English
2-HYDROXY-4-(METHYLTHIO) BUTYRIC ACID SODIUM SALT
Common Name English
OXOMETHIONINE SODIUM
Systematic Name English
BUTANOIC ACID, 2-HYDROXY-4-(METHYLTHIO)-, MONOSODIUM SALT
Systematic Name English
BUTANOIC ACID, 2-HYDROXY-4-(METHYLTHIO)-, SODIUM SALT (1:1)
Systematic Name English
BUTYRIC ACID, 2-HYDROXY-4-(METHYLTHIO)-, MONOSODIUM SALT
Systematic Name English
DESMENINOL SODIUM
Common Name English
Code System Code Type Description
PUBCHEM
23676570
Created by admin on Fri Dec 15 15:16:04 UTC 2023 , Edited by admin on Fri Dec 15 15:16:04 UTC 2023
PRIMARY
FDA UNII
154Z6J20MM
Created by admin on Fri Dec 15 15:16:04 UTC 2023 , Edited by admin on Fri Dec 15 15:16:04 UTC 2023
PRIMARY
ECHA (EC/EINECS)
245-769-5
Created by admin on Fri Dec 15 15:16:04 UTC 2023 , Edited by admin on Fri Dec 15 15:16:04 UTC 2023
PRIMARY
CAS
23597-90-2
Created by admin on Fri Dec 15 15:16:04 UTC 2023 , Edited by admin on Fri Dec 15 15:16:04 UTC 2023
PRIMARY