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Details

Stereochemistry UNKNOWN
Molecular Formula C17H16O5S
Molecular Weight 332.3727
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)c1ccc(cc1)C2C(c3ccccc3)C(=O)OC2O

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 332.3727
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 Jun 26 09:48:21 UTC 2021
Edited
by admin
on Sat Jun 26 09:48:21 UTC 2021
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 Jun 26 09:48:21 UTC 2021 , Edited by admin on Sat Jun 26 09:48:21 UTC 2021
PRIMARY
PUBCHEM
644098
Created by admin on Sat Jun 26 09:48:21 UTC 2021 , Edited by admin on Sat Jun 26 09:48:21 UTC 2021
PRIMARY
FDA UNII
17F88C8TJZ
Created by admin on Sat Jun 26 09:48:21 UTC 2021 , Edited by admin on Sat Jun 26 09:48:21 UTC 2021
PRIMARY
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