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Details

Stereochemistry RACEMIC
Molecular Formula C12H6F6O4.C4H11NO3
Molecular Weight 449.2991
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of OCAROCOXIB TROMETHAMINE

SMILES

NC(CO)(CO)CO.OC(=O)C1=CC2=C(OC1C(F)(F)F)C=CC(OC(F)(F)F)=C2

InChI

InChIKey=MWZUJRVBVVSULF-UHFFFAOYSA-N
InChI=1S/C12H6F6O4.C4H11NO3/c13-11(14,15)9-7(10(19)20)4-5-3-6(22-12(16,17)18)1-2-8(5)21-9;5-4(1-6,2-7)3-8/h1-4,9H,(H,19,20);6-8H,1-3,5H2

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 ( + / - )

Molecular Formula C4H11NO3
Molecular Weight 121.135
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 09:52:44 GMT 2025
Edited
by admin
on Wed Apr 02 09:52:44 GMT 2025
Record UNII
BMR39WX395
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
OCAROCOXIB TROMETHAMINE
USAN  
Official Name English
OCAROCOXIB TROMETHAMINE [USAN]
Preferred Name English
(2RS)-6-(TRIFLUOROMETHOXY)-2-(TRIFLUOROMETHYL)-2H-CHROMENE-3-CARBOXYLIC ACID, (1:1) SALT WITH 2-AMINO-2-(HYDROXYMETHYL)PROPANE-1,3-DIOL
Systematic Name English
2H-1-BENZOPYRAN-3-CARBOXYLIC ACID, 6-(TRIFLUOROMETHOXY)-2-(TRIFLUOROMETHYL)-, COMPD. WITH 2-AMINO-2-(HYDROXYMETHYL)-1,3-PROPANEDIOL (1:1)
Systematic Name English
Code System Code Type Description
CAS
2279971-28-5
Created by admin on Wed Apr 02 09:52:44 GMT 2025 , Edited by admin on Wed Apr 02 09:52:44 GMT 2025
PRIMARY
PUBCHEM
154702464
Created by admin on Wed Apr 02 09:52:44 GMT 2025 , Edited by admin on Wed Apr 02 09:52:44 GMT 2025
PRIMARY
SMS_ID
300000028915
Created by admin on Wed Apr 02 09:52:44 GMT 2025 , Edited by admin on Wed Apr 02 09:52:44 GMT 2025
PRIMARY
NCI_THESAURUS
C177078
Created by admin on Wed Apr 02 09:52:44 GMT 2025 , Edited by admin on Wed Apr 02 09:52:44 GMT 2025
PRIMARY
FDA UNII
BMR39WX395
Created by admin on Wed Apr 02 09:52:44 GMT 2025 , Edited by admin on Wed Apr 02 09:52:44 GMT 2025
PRIMARY
USAN
GH-139
Created by admin on Wed Apr 02 09:52:44 GMT 2025 , Edited by admin on Wed Apr 02 09:52:44 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY