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Details

Stereochemistry ABSOLUTE
Molecular Formula C15H14ClF3O3
Molecular Weight 334.718
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Tigemocoxib

SMILES

CC(C)(C)C1=CC2=C(C=C1Cl)C=C([C@H](O2)C(F)(F)F)C(O)=O

InChI

InChIKey=QGCKNIAMHUUUDI-LBPRGKRZSA-N
InChI=1S/C15H14ClF3O3/c1-14(2,3)9-6-11-7(5-10(9)16)4-8(13(20)21)12(22-11)15(17,18)19/h4-6,12H,1-3H3,(H,20,21)/t12-/m0/s1

HIDE SMILES / InChI

Molecular Formula C15H14ClF3O3
Molecular Weight 334.718
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 18:13:21 GMT 2025
Edited
by admin
on Mon Mar 31 18:13:21 GMT 2025
Record UNII
C8D42HX4WH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Tigemocoxib
INN  
Official Name English
SC-75416
Preferred Name English
(2S)-7-tert-butyl-6-chloro-2-(trifluoromethyl)-2H-1-benzopyran-3-carboxylic acid
Systematic Name English
(2S)-6-Chloro-7-(1,1-dimethylethyl)-2-(trifluoromethyl)-2H-1-benzopyran-3-carboxylic acid
Systematic Name English
2H-1-Benzopyran-3-carboxylic acid, 6-chloro-7-(1,1-dimethylethyl)-2-(trifluoromethyl)-, (2S)-
Common Name English
tigemocoxib [INN]
Common Name English
Code System Code Type Description
CAS
215122-74-0
Created by admin on Mon Mar 31 18:13:21 GMT 2025 , Edited by admin on Mon Mar 31 18:13:21 GMT 2025
PRIMARY
SMS_ID
300000056622
Created by admin on Mon Mar 31 18:13:21 GMT 2025 , Edited by admin on Mon Mar 31 18:13:21 GMT 2025
PRIMARY
NCI_THESAURUS
C211760
Created by admin on Mon Mar 31 18:13:21 GMT 2025 , Edited by admin on Mon Mar 31 18:13:21 GMT 2025
PRIMARY
FDA UNII
C8D42HX4WH
Created by admin on Mon Mar 31 18:13:21 GMT 2025 , Edited by admin on Mon Mar 31 18:13:21 GMT 2025
PRIMARY
INN
13201
Created by admin on Mon Mar 31 18:13:21 GMT 2025 , Edited by admin on Mon Mar 31 18:13:21 GMT 2025
PRIMARY
PUBCHEM
9858913
Created by admin on Mon Mar 31 18:13:21 GMT 2025 , Edited by admin on Mon Mar 31 18:13:21 GMT 2025
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
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ACTIVE MOIETY