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

Details

Stereochemistry RACEMIC
Molecular Formula C10H12O3
Molecular Weight 180.2005
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Ethyl mandelate

SMILES

CCOC(=O)C(O)C1=CC=CC=C1

InChI

InChIKey=SAXHIDRUJXPDOD-UHFFFAOYSA-N
InChI=1S/C10H12O3/c1-2-13-10(12)9(11)8-6-4-3-5-7-8/h3-7,9,11H,2H2,1H3

HIDE SMILES / InChI

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
Target ID: (S)-mandelate dehydrogenase from Pseudomonas putida
Name Type Language
NSC-5307
Preferred Name English
Ethyl mandelate
Systematic Name English
Ethyl mandelate, (±)-
Systematic Name English
Ethyl ?-hydroxybenzeneacetate
Systematic Name English
Ethyl ?-hydroxyphenylacetate
Systematic Name English
Benzeneacetic acid, ?-hydroxy-, ethyl ester
Systematic Name English
(±)-Ethyl mandelate
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID6057829
Created by admin on Wed Apr 02 21:25:38 GMT 2025 , Edited by admin on Wed Apr 02 21:25:38 GMT 2025
PRIMARY
PUBCHEM
13050
Created by admin on Wed Apr 02 21:25:38 GMT 2025 , Edited by admin on Wed Apr 02 21:25:38 GMT 2025
PRIMARY
ECHA (EC/EINECS)
212-263-0
Created by admin on Wed Apr 02 21:25:38 GMT 2025 , Edited by admin on Wed Apr 02 21:25:38 GMT 2025
PRIMARY
CAS
774-40-3
Created by admin on Wed Apr 02 21:25:38 GMT 2025 , Edited by admin on Wed Apr 02 21:25:38 GMT 2025
PRIMARY
FDA UNII
HB863RG3P8
Created by admin on Wed Apr 02 21:25:38 GMT 2025 , Edited by admin on Wed Apr 02 21:25:38 GMT 2025
PRIMARY
NSC
5307
Created by admin on Wed Apr 02 21:25:38 GMT 2025 , Edited by admin on Wed Apr 02 21:25:38 GMT 2025
PRIMARY