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Details

Stereochemistry RACEMIC
Molecular Formula C12H6F6O4
Molecular Weight 328.1641
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of OCAROCOXIB

SMILES

OC(=O)C1=CC2=CC(OC(F)(F)F)=CC=C2OC1C(F)(F)F

InChI

InChIKey=CSOISVJKLBMNCK-UHFFFAOYSA-N
InChI=1S/C12H6F6O4/c13-11(14,15)9-7(10(19)20)4-5-3-6(22-12(16,17)18)1-2-8(5)21-9/h1-4,9H,(H,19,20)

HIDE SMILES / InChI

Molecular Formula C12H6F6O4
Molecular Weight 328.1641
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 17:06:23 UTC 2023
Edited
by admin
on Sat Dec 16 17:06:23 UTC 2023
Record UNII
96RH6Z678D
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
OCAROCOXIB
INN   USAN  
Official Name English
(2RS)-6-(TRIFLUOROMETHOXY)-2-(TRIFLUOROMETHYL)-2H-CHROMENE-3-CARBOXYLIC ACID
Systematic Name English
OCAROCOXIB [USAN]
Common Name English
ocarocoxib [INN]
Common Name English
2H-1-BENZOPYRAN-3-CARBOXYLIC ACID, 6-(TRIFLUOROMETHOXY)-2-(TRIFLUOROMETHYL)-
Systematic Name English
Code System Code Type Description
PUBCHEM
9883880
Created by admin on Sat Dec 16 17:06:23 UTC 2023 , Edited by admin on Sat Dec 16 17:06:23 UTC 2023
PRIMARY
FDA UNII
96RH6Z678D
Created by admin on Sat Dec 16 17:06:23 UTC 2023 , Edited by admin on Sat Dec 16 17:06:23 UTC 2023
PRIMARY
INN
11528
Created by admin on Sat Dec 16 17:06:23 UTC 2023 , Edited by admin on Sat Dec 16 17:06:23 UTC 2023
PRIMARY
NCI_THESAURUS
C177072
Created by admin on Sat Dec 16 17:06:23 UTC 2023 , Edited by admin on Sat Dec 16 17:06:23 UTC 2023
PRIMARY
CAS
215122-22-8
Created by admin on Sat Dec 16 17:06:23 UTC 2023 , Edited by admin on Sat Dec 16 17:06:23 UTC 2023
PRIMARY
USAN
GH-138
Created by admin on Sat Dec 16 17:06:23 UTC 2023 , Edited by admin on Sat Dec 16 17:06:23 UTC 2023
PRIMARY
SMS_ID
300000028914
Created by admin on Sat Dec 16 17:06:23 UTC 2023 , Edited by admin on Sat Dec 16 17:06:23 UTC 2023
PRIMARY
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SALT/SOLVATE -> PARENT
TARGET -> INHIBITOR
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ACTIVE MOIETY