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Details

Stereochemistry UNKNOWN
Molecular Formula C17H16O5S
Molecular Weight 332.371
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2(3H)-FURANONE, DIHYDRO-5-HYDROXY-4-(4-(METHYLSULFONYL)PHENYL)-3-PHENYL-

SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2C(O)OC(=O)C2C3=CC=CC=C3

InChI

InChIKey=KETRNDQFHQCNAX-UHFFFAOYSA-N
InChI=1S/C17H16O5S/c1-23(20,21)13-9-7-12(8-10-13)15-14(16(18)22-17(15)19)11-5-3-2-4-6-11/h2-10,14-15,17,19H,1H3

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
3,4-DIHYDRO-5-HYDROXYROFECOXIB
Preferred Name English
2(3H)-FURANONE, DIHYDRO-5-HYDROXY-4-(4-(METHYLSULFONYL)PHENYL)-3-PHENYL-
Systematic Name English
DIHYDRO-5-HYDROXYROFECOXIB
Common Name English
DH-5-HYDROXYR
Common Name English
Code System Code Type Description
CAS
673458-21-4
Created by admin on Wed Apr 02 05:50:46 GMT 2025 , Edited by admin on Wed Apr 02 05:50:46 GMT 2025
PRIMARY
PUBCHEM
644098
Created by admin on Wed Apr 02 05:50:46 GMT 2025 , Edited by admin on Wed Apr 02 05:50:46 GMT 2025
PRIMARY
FDA UNII
17F88C8TJZ
Created by admin on Wed Apr 02 05:50:46 GMT 2025 , Edited by admin on Wed Apr 02 05:50:46 GMT 2025
PRIMARY
PARENT (METABOLITE)
Structure of ROFECOXIB
NIH
NCATS
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