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

Details

Stereochemistry ACHIRAL
Molecular Formula C13H15F3N2O2
Molecular Weight 288.2656
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

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

SMILES

OC(=O)C1=CC=C(CN2CCNCC2)C(=C1)C(F)(F)F

InChI

InChIKey=VUDYVDUAMXOANH-UHFFFAOYSA-N
InChI=1S/C13H15F3N2O2/c14-13(15,16)11-7-9(12(19)20)1-2-10(11)8-18-5-3-17-4-6-18/h1-2,7,17H,3-6,8H2,(H,19,20)

HIDE SMILES / InChI

Approval Year

Name Type Language
4-(1-PIPERAZINYLMETHYL)-3-(TRIFLUOROMETHYL)BENZOIC ACID
Systematic Name English
BENZOIC ACID, 4-(1-PIPERAZINYLMETHYL)-3-(TRIFLUOROMETHYL)-
Systematic Name English
FLUMATINIB METABOLITE M5
Common Name English
Code System Code Type Description
FDA UNII
Z936190TVF
Created by admin on Sat Dec 16 16:42:09 GMT 2023 , Edited by admin on Sat Dec 16 16:42:09 GMT 2023
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CAS
1163144-92-0
Created by admin on Sat Dec 16 16:42:09 GMT 2023 , Edited by admin on Sat Dec 16 16:42:09 GMT 2023
PRIMARY
PUBCHEM
90269593
Created by admin on Sat Dec 16 16:42:09 GMT 2023 , Edited by admin on Sat Dec 16 16:42:09 GMT 2023
PRIMARY