ROFECOXIB-THREO-3,4-DIHYDROHYDROXY ACID

CS(=O)(=O)C1=CC=C(C=C1)[C@@H](CO)[C@H](C(O)=O)C2=CC=CC=C2

InChIKey=BBBDYOCLJIKLKC-HZPDHXFCSA-N

InChI=1S/C17H18O5S/c1-23(21,22)14-9-7-12(8-10-14)15(11-18)16(17(19)20)13-5-3-2-4-6-13/h2-10,15-16,18H,11H2,1H3,(H,19,20)/t15-,16-/m1/s1

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

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:55:35 GMT 2023` Edited by `admin` on `Sat Dec 16 08:55:35 GMT 2023`
Record UNII	N7Q5T51WVF
Record Status	`Validated (UNII)`
Record Version

Name

Type

Language

ROFECOXIB-THREO-3,4-DIHYDROHYDROXY ACID

Common Name

English

BENZENEPROPANOIC ACID, .BETA.-(HYDROXYMETHYL)-4-(METHYLSULFONYL)-.ALPHA.-PHENYL-, (.ALPHA.R,.BETA.R)-REL-

Systematic Name

English

RAC-(2S*,3S*)-2-PHENYL-3-(4-(METHYLSULFONYL)PHENYL)-4-HYDROXYBUTANOIC ACID

Systematic Name

English

J1.431.852F

Code

English

ROFECOXIB METABOLITE ROFECOXIB-THREO-3,4-DIHYDROHYDROXY ACID

Common Name

English

Code System Code Type Description

PUBCHEM

44323831

Created by admin on Sat Dec 16 08:55:35 GMT 2023 , Edited by admin on Sat Dec 16 08:55:35 GMT 2023

PRIMARY

CAS

326604-36-8

Created by admin on Sat Dec 16 08:55:35 GMT 2023 , Edited by admin on Sat Dec 16 08:55:35 GMT 2023

PRIMARY

FDA UNII

N7Q5T51WVF

Created by admin on Sat Dec 16 08:55:35 GMT 2023 , Edited by admin on Sat Dec 16 08:55:35 GMT 2023

PRIMARY