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

Details

Stereochemistry RACEMIC
Molecular Formula C12H16O3
Molecular Weight 208.2536
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ETHYL 2-HYDROXY-4-PHENYLBUTYRATE, (±)-

SMILES

CCOC(=O)C(O)CCC1=CC=CC=C1

InChI

InChIKey=ZJYKSSGYDPNKQS-UHFFFAOYSA-N
InChI=1S/C12H16O3/c1-2-15-12(14)11(13)9-8-10-6-4-3-5-7-10/h3-7,11,13H,2,8-9H2,1H3

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
ETHYL 2-HYDROXY-4-PHENYLBUTYRATE, (±)-
Systematic Name English
ETHYL .ALPHA.-HYDROXYBENZENEBUTANOATE
Systematic Name English
BENZENEBUTANOIC ACID, .ALPHA.-HYDROXY-, ETHYL ESTER
Systematic Name English
Code System Code Type Description
CAS
7226-83-7
Created by admin on Sat Dec 16 13:57:06 UTC 2023 , Edited by admin on Sat Dec 16 13:57:06 UTC 2023
PRIMARY
PUBCHEM
4092621
Created by admin on Sat Dec 16 13:57:06 UTC 2023 , Edited by admin on Sat Dec 16 13:57:06 UTC 2023
PRIMARY
FDA UNII
98PT8ZK21T
Created by admin on Sat Dec 16 13:57:06 UTC 2023 , Edited by admin on Sat Dec 16 13:57:06 UTC 2023
PRIMARY
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966