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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

Molecular Formula C14H17F3N2O2
Molecular Weight 302.2922
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 16:49:56 GMT 2023
Edited
by admin
on Sat Dec 16 16:49:56 GMT 2023
Record UNII
8Z0HZM0V8C
Record Status Validated (UNII)
Record Version
  • Download
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
Related Record Type Details
SALT/SOLVATE -> PARENT
Related Record Type Details
PARENT -> METABOLITE
PLASMA; URINE