U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C11H6F3NO2
Molecular Weight 241.166
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6-(TRIFLUOROMETHYL)-2-QUINOLINECARBOXYLIC ACID

SMILES

OC(=O)C1=NC2=C(C=C1)C=C(C=C2)C(F)(F)F

InChI

InChIKey=LSVFVSVUKCIBHC-UHFFFAOYSA-N
InChI=1S/C11H6F3NO2/c12-11(13,14)7-2-4-8-6(5-7)1-3-9(15-8)10(16)17/h1-5H,(H,16,17)

HIDE SMILES / InChI

Molecular Formula C11H6F3NO2
Molecular Weight 241.166
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 Sat Dec 16 16:40:55 UTC 2023
Edited
by admin
on Sat Dec 16 16:40:55 UTC 2023
Record UNII
AP914NOO4G
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6-(TRIFLUOROMETHYL)-2-QUINOLINECARBOXYLIC ACID
Systematic Name English
TORCETRAPIB METABOLITE M4
Common Name English
2-QUINOLINECARBOXYLIC ACID, 6-(TRIFLUOROMETHYL)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID40457312
Created by admin on Sat Dec 16 16:40:55 UTC 2023 , Edited by admin on Sat Dec 16 16:40:55 UTC 2023
PRIMARY
CAS
849818-58-2
Created by admin on Sat Dec 16 16:40:55 UTC 2023 , Edited by admin on Sat Dec 16 16:40:55 UTC 2023
PRIMARY
FDA UNII
AP914NOO4G
Created by admin on Sat Dec 16 16:40:55 UTC 2023 , Edited by admin on Sat Dec 16 16:40:55 UTC 2023
PRIMARY
PUBCHEM
11160820
Created by admin on Sat Dec 16 16:40:55 UTC 2023 , Edited by admin on Sat Dec 16 16:40:55 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
PLASMA
PARENT -> METABOLITE
URINE