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

Details

Stereochemistry ACHIRAL
Molecular Formula C12H5F6NO2
Molecular Weight 309.164
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CARBOXYMEFLOQUINE

SMILES

OC(=O)C1=CC(=NC2=C(C=CC=C12)C(F)(F)F)C(F)(F)F

InChI

InChIKey=QJTJIQBSZLFWFS-UHFFFAOYSA-N
InChI=1S/C12H5F6NO2/c13-11(14,15)7-3-1-2-5-6(10(20)21)4-8(12(16,17)18)19-9(5)7/h1-4H,(H,20,21)

HIDE SMILES / InChI

Molecular Formula C12H5F6NO2
Molecular Weight 309.164
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Oct 22 14:51:37 UTC 2019
Edited
by admin
on Tue Oct 22 14:51:37 UTC 2019
Record UNII
462L37KS1K
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CARBOXYMEFLOQUINE
Common Name English
4-QUINOLINECARBOXYLIC ACID, 2,8-BIS(TRIFLUOROMETHYL)-
Systematic Name English
RO-21-5104
Code English
Code System Code Type Description
CAS
35853-50-0
Created by admin on Tue Oct 22 14:51:37 UTC 2019 , Edited by admin on Tue Oct 22 14:51:37 UTC 2019
PRIMARY
EPA CompTox
35853-50-0
Created by admin on Tue Oct 22 14:51:37 UTC 2019 , Edited by admin on Tue Oct 22 14:51:37 UTC 2019
PRIMARY
PUBCHEM
169721
Created by admin on Tue Oct 22 14:51:37 UTC 2019 , Edited by admin on Tue Oct 22 14:51:37 UTC 2019
PRIMARY
Related Record Type Details
PARENT -> METABOLITE INACTIVE
MAJOR
PLASMA