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Details

Stereochemistry RACEMIC
Molecular Formula C17H16O4S
Molecular Weight 316.372
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2(3H)-FURANONE, DIHYDRO-4-(4-(METHYLSULFONYL)PHENYL)-3-PHENYL-, (3R,4S)-REL-

SMILES

[H][C@]1(COC(=O)[C@]1([H])C2=CC=CC=C2)C3=CC=C(C=C3)S(C)(=O)=O

InChI

InChIKey=PHCFUFKRCHEUTJ-JKSUJKDBSA-N
InChI=1S/C17H16O4S/c1-22(19,20)14-9-7-12(8-10-14)15-11-21-17(18)16(15)13-5-3-2-4-6-13/h2-10,15-16H,11H2,1H3/t15-,16+/m0/s1

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
2(3H)-FURANONE, DIHYDRO-4-(4-(METHYLSULFONYL)PHENYL)-3-PHENYL-, (3R,4S)-REL-
Systematic Name English
CIS-DHR
Common Name English
CIS-DIHYDROROFECOXIB
Common Name English
REL-(3R,4S)-DIHYDRO-4-(4-(METHYLSULFONYL)PHENYL)-3-PHENYL-2(3H)-FURANONE
Common Name English
Code System Code Type Description
PUBCHEM
101079917
Created by admin on Sat Dec 16 15:22:54 GMT 2023 , Edited by admin on Sat Dec 16 15:22:54 GMT 2023
PRIMARY
CAS
308364-87-6
Created by admin on Sat Dec 16 15:22:54 GMT 2023 , Edited by admin on Sat Dec 16 15:22:54 GMT 2023
PRIMARY
FDA UNII
2VL6DH29WP
Created by admin on Sat Dec 16 15:22:54 GMT 2023 , Edited by admin on Sat Dec 16 15:22:54 GMT 2023
PRIMARY
PARENT (METABOLITE)
Structure of ROFECOXIB
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