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Details

Stereochemistry RACEMIC
Molecular Formula C17H18O5S
Molecular Weight 334.387
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ROFECOXIB-ERYTHRO-3,4-DIHYDROHYDROXY ACID

SMILES

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

InChI

InChIKey=BBBDYOCLJIKLKC-JKSUJKDBSA-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+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
ROFECOXIB-ERYTHRO-3,4-DIHYDROHYDROXY ACID
Common Name English
ROFECOXIB METABOLITE ROFECOXIB-ERYTHRO-3,4-DIHYDROHYDROXY ACID
Common Name English
BENZENEPROPANOIC ACID, .BETA.-(HYDROXYMETHYL)-4-(METHYLSULFONYL)-.ALPHA.-PHENYL-, (.ALPHA.R,.BETA.S)-REL-
Systematic Name English
Code System Code Type Description
CAS
475158-23-7
Created by admin on Sat Dec 16 08:42:13 GMT 2023 , Edited by admin on Sat Dec 16 08:42:13 GMT 2023
PRIMARY
PUBCHEM
119058022
Created by admin on Sat Dec 16 08:42:13 GMT 2023 , Edited by admin on Sat Dec 16 08:42:13 GMT 2023
PRIMARY
FDA UNII
Z3UJB09V82
Created by admin on Sat Dec 16 08:42:13 GMT 2023 , Edited by admin on Sat Dec 16 08:42:13 GMT 2023
PRIMARY