3-(4-((1S)-2-HYDROXY-1-METHYL-2-OXO-ETHYL)PHENYL)-2-METHYL-PROPANOIC ACID

CC(CC1=CC=C(C=C1)[C@H](C)C(O)=O)C(O)=O

InChIKey=DIVLBIVDYADZPL-GKAPJAKFSA-N

InChI=1S/C13H16O4/c1-8(12(14)15)7-10-3-5-11(6-4-10)9(2)13(16)17/h3-6,8-9H,7H2,1-2H3,(H,14,15)(H,16,17)/t8?,9-/m0/s1

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	1 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Substance Class	Chemical Created by `admin` on `Tue Apr 01 21:54:30 GMT 2025` Edited by `admin` on `Tue Apr 01 21:54:30 GMT 2025`
Record UNII	J78Y8XE2HY
Record Status	`Validated (UNII)`
Record Version

Name

Type

Language

BENZENEPROPANOIC ACID, 4-(1-CARBOXYETHYL)-.ALPHA.-METHYL-, (.ALPHA.S)-

Preferred Name

English

3-(4-((1S)-2-HYDROXY-1-METHYL-2-OXO-ETHYL)PHENYL)-2-METHYL-PROPANOIC ACID

Common Name

English

Code System Code Type Description

FDA UNII

J78Y8XE2HY

Created by admin on Tue Apr 01 21:54:30 GMT 2025 , Edited by admin on Tue Apr 01 21:54:30 GMT 2025

PRIMARY

CAS

189287-82-9

Created by admin on Tue Apr 01 21:54:30 GMT 2025 , Edited by admin on Tue Apr 01 21:54:30 GMT 2025

PRIMARY

PUBCHEM

100999936

Created by admin on Tue Apr 01 21:54:30 GMT 2025 , Edited by admin on Tue Apr 01 21:54:30 GMT 2025

PRIMARY

Related Record Type Details


					671DKG7P5S

PARENT -> METABOLITE INACTIVE

Comments:

Metabolism by CYP2C9 (90%) and CYP2C19 (10%).