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Details

Stereochemistry RACEMIC
Molecular Formula C17H16O4S
Molecular Weight 316.3733
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,4R)-REL-

SMILES

CS(=O)(=O)c1ccc(cc1)[C@@]2([H])COC(=O)[C@]2([H])c3ccccc3

InChI

InChIKey=PHCFUFKRCHEUTJ-HZPDHXFCSA-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-/m1/s1

HIDE SMILES / InChI

Molecular Formula C17H16O4S
Molecular Weight 316.3733
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 05:55:42 UTC 2021
Edited
by admin
on Sat Jun 26 05:55:42 UTC 2021
Record UNII
IU92DC6Q4C
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2(3H)-FURANONE, DIHYDRO-4-(4-(METHYLSULFONYL)PHENYL)-3-PHENYL-, (3R,4R)-REL-
Systematic Name English
REL-(3R,4R)-DIHYDRO-4-(4-(METHYLSULFONYL)PHENYL)-3-PHENYL-2(3H)-FURANONE
Systematic Name English
TRANS-DIHYDROROFECOXIB
Common Name English
TRANS-DHR
Common Name English
Code System Code Type Description
FDA UNII
IU92DC6Q4C
Created by admin on Sat Jun 26 05:55:42 UTC 2021 , Edited by admin on Sat Jun 26 05:55:42 UTC 2021
PRIMARY
PUBCHEM
44323766
Created by admin on Sat Jun 26 05:55:42 UTC 2021 , Edited by admin on Sat Jun 26 05:55:42 UTC 2021
PRIMARY
CAS
308364-86-5
Created by admin on Sat Jun 26 05:55:42 UTC 2021 , Edited by admin on Sat Jun 26 05:55:42 UTC 2021
PRIMARY
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