U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry UNKNOWN
Molecular Formula C17H14O5S
Molecular Weight 330.355
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-HYDROXYROFECOXIB

SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=O)OC2O)C3=CC=CC=C3

InChI

InChIKey=NCBVUSNBLYMFPP-UHFFFAOYSA-N
InChI=1S/C17H14O5S/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/h2-10,17,19H,1H3

HIDE SMILES / InChI

Approval Year

Name Type Language
5-HYDROXYROFECOXIB
Common Name English
ROFECOXIB METABOLITE 5-HYDROXYROFECOXIB
Common Name English
J1.426.755G
Code English
2(5H)-FURANONE, 5-HYDROXY-4-(4-(METHYLSULFONYL)PHENYL)-3-PHENYL-
Systematic Name English
5-HYDROXY-3-PHENYL-4-(4-(METHYLSULFONYL)PHENYL)FURAN-2(5H)-ONE
Systematic Name English
Code System Code Type Description
CAS
185147-17-5
Created by admin on Sat Dec 16 09:17:22 GMT 2023 , Edited by admin on Sat Dec 16 09:17:22 GMT 2023
PRIMARY
EPA CompTox
DTXSID90433560
Created by admin on Sat Dec 16 09:17:22 GMT 2023 , Edited by admin on Sat Dec 16 09:17:22 GMT 2023
PRIMARY
FDA UNII
8DJV9U9K61
Created by admin on Sat Dec 16 09:17:22 GMT 2023 , Edited by admin on Sat Dec 16 09:17:22 GMT 2023
PRIMARY
PUBCHEM
9973893
Created by admin on Sat Dec 16 09:17:22 GMT 2023 , Edited by admin on Sat Dec 16 09:17:22 GMT 2023
PRIMARY