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

Details

Stereochemistry RACEMIC
Molecular Formula C10H11O3.Na
Molecular Weight 202.1823
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SODIUM .BETA.-PHENYL-.GAMMA.-HYDROXYBUTYRATE

SMILES

[Na+].OCC(CC([O-])=O)C1=CC=CC=C1

InChI

InChIKey=IYRHDHMHGKWQGK-UHFFFAOYSA-M
InChI=1S/C10H12O3.Na/c11-7-9(6-10(12)13)8-4-2-1-3-5-8;/h1-5,9,11H,6-7H2,(H,12,13);/q;+1/p-1

HIDE SMILES / InChI

Approval Year

Name Type Language
SODIUM .BETA.-PHENYL-.GAMMA.-HYDROXYBUTYRATE
Systematic Name English
BENZENEPROPANOIC ACID, .BETA.-(HYDROXYMETHYL)-, SODIUM SALT (1:1)
Preferred Name English
SODIUM BETA-PHENYL-GAMMA-HYDROXYBUTYRATE
Systematic Name English
Code System Code Type Description
PUBCHEM
23681191
Created by admin on Mon Mar 31 21:00:59 GMT 2025 , Edited by admin on Mon Mar 31 21:00:59 GMT 2025
PRIMARY
CAS
40951-19-7
Created by admin on Mon Mar 31 21:00:59 GMT 2025 , Edited by admin on Mon Mar 31 21:00:59 GMT 2025
PRIMARY
FDA UNII
4ZY84KZD7G
Created by admin on Mon Mar 31 21:00:59 GMT 2025 , Edited by admin on Mon Mar 31 21:00:59 GMT 2025
PRIMARY
EPA CompTox
DTXSID40961323
Created by admin on Mon Mar 31 21:00:59 GMT 2025 , Edited by admin on Mon Mar 31 21:00:59 GMT 2025
PRIMARY