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

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

Molecular Formula C17H16O5S
Molecular Weight 332.371
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:33:15 GMT 2023
Edited
by admin
on Sat Dec 16 15:33:15 GMT 2023
Record UNII
17F88C8TJZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2(3H)-FURANONE, DIHYDRO-5-HYDROXY-4-(4-(METHYLSULFONYL)PHENYL)-3-PHENYL-
Systematic Name English
DIHYDRO-5-HYDROXYROFECOXIB
Common Name English
3,4-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 Sat Dec 16 15:33:15 GMT 2023 , Edited by admin on Sat Dec 16 15:33:15 GMT 2023
PRIMARY
PUBCHEM
644098
Created by admin on Sat Dec 16 15:33:15 GMT 2023 , Edited by admin on Sat Dec 16 15:33:15 GMT 2023
PRIMARY
FDA UNII
17F88C8TJZ
Created by admin on Sat Dec 16 15:33:15 GMT 2023 , Edited by admin on Sat Dec 16 15:33:15 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
IN VITRO