(2S)-2-(4-(3-HYDROXY-2-METHYL-PROPYL)PHENYL)PROPANOIC ACID

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

InChIKey=HFAIHLSDLUYLQA-AXDSSHIGSA-N

InChI=1S/C13H18O3/c1-9(8-14)7-11-3-5-12(6-4-11)10(2)13(15)16/h3-6,9-10,14H,7-8H2,1-2H3,(H,15,16)/t9?,10-/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 20:52:32 GMT 2025` Edited by `admin` on `Tue Apr 01 20:52:32 GMT 2025`
Record UNII	S88CC59PML
Record Status	`Validated (UNII)`
Record Version

Name

Type

Language

(2S)-2-(4-(3-HYDROXY-2-METHYL-PROPYL)PHENYL)PROPANOIC ACID

Common Name

English

BENZENEACETIC ACID, 4-(3-HYDROXY-2-METHYLPROPYL)-.ALPHA.-METHYL-, (.ALPHA.S)-

Preferred Name

English

Code System Code Type Description

CAS

654679-51-3

Created by admin on Tue Apr 01 20:52:32 GMT 2025 , Edited by admin on Tue Apr 01 20:52:32 GMT 2025

PRIMARY

FDA UNII

S88CC59PML

Created by admin on Tue Apr 01 20:52:32 GMT 2025 , Edited by admin on Tue Apr 01 20:52:32 GMT 2025

PRIMARY

PUBCHEM

154699635

Created by admin on Tue Apr 01 20:52:32 GMT 2025 , Edited by admin on Tue Apr 01 20:52:32 GMT 2025

PRIMARY

Related Record Type Details


					671DKG7P5S

PARENT -> METABOLITE INACTIVE

Comments:

Metabolism by CYP2C9 (90%0 and CYP2C19 (10%).