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

Details

Stereochemistry ACHIRAL
Molecular Formula C14H17F3N2O2
Molecular Weight 302.2922
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-((4-METHYL-1-PIPERAZINYL)METHYL)-3-(TRIFLUOROMETHYL)BENZOIC ACID

SMILES

CN1CCN(CC2=CC=C(C=C2C(F)(F)F)C(O)=O)CC1

InChI

InChIKey=ZCQQMOIFWQOICM-UHFFFAOYSA-N
InChI=1S/C14H17F3N2O2/c1-18-4-6-19(7-5-18)9-11-3-2-10(13(20)21)8-12(11)14(15,16)17/h2-3,8H,4-7,9H2,1H3,(H,20,21)

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
4-((4-METHYL-1-PIPERAZINYL)METHYL)-3-(TRIFLUOROMETHYL)BENZOIC ACID
Systematic Name English
FLUMATINIB METABOLITE M3
Common Name English
4-((4-METHYLPIPERAZIN-1-YL)METHYL)-3-TRIFLUOROMETHYLBENZOIC ACID
Systematic Name English
BENZOIC ACID, 4-((4-METHYL-1-PIPERAZINYL)METHYL)-3-(TRIFLUOROMETHYL)-
Systematic Name English
Code System Code Type Description
CAS
859282-11-4
Created by admin on Sat Dec 16 16:49:56 GMT 2023 , Edited by admin on Sat Dec 16 16:49:56 GMT 2023
PRIMARY
PUBCHEM
23145880
Created by admin on Sat Dec 16 16:49:56 GMT 2023 , Edited by admin on Sat Dec 16 16:49:56 GMT 2023
PRIMARY
FDA UNII
8Z0HZM0V8C
Created by admin on Sat Dec 16 16:49:56 GMT 2023 , Edited by admin on Sat Dec 16 16:49:56 GMT 2023
PRIMARY
PARENT (METABOLITE)
Structure of FLUMBATINIB
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966