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Details

Stereochemistry ACHIRAL
Molecular Formula C14H17F3N2O2.2ClH
Molecular Weight 375.214
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-(4-Methylpiperazin-1-ylmethyl)-3-trifluoromethylbenzoic acid dihydrochloride

SMILES

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

InChI

InChIKey=PPNMXEJPTKPASZ-UHFFFAOYSA-N
InChI=1S/C14H17F3N2O2.2ClH/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);2*1H

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

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 19:52:47 GMT 2023
Edited
by admin
on Sat Dec 16 19:52:47 GMT 2023
Record UNII
KKY2U75VSX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-(4-Methylpiperazin-1-ylmethyl)-3-trifluoromethylbenzoic acid dihydrochloride
Systematic Name English
Benzoic acid, 4-[(4-methyl-1-piperazinyl)methyl]-3-(trifluoromethyl)-, dihydrochloride
Systematic Name English
Benzoic acid, 4-[(4-methyl-1-piperazinyl)methyl]-3-(trifluoromethyl)-, hydrochloride (1:2)
Systematic Name English
Code System Code Type Description
PUBCHEM
156592226
Created by admin on Sat Dec 16 19:52:47 GMT 2023 , Edited by admin on Sat Dec 16 19:52:47 GMT 2023
PRIMARY
CAS
859027-02-4
Created by admin on Sat Dec 16 19:52:47 GMT 2023 , Edited by admin on Sat Dec 16 19:52:47 GMT 2023
PRIMARY
FDA UNII
KKY2U75VSX
Created by admin on Sat Dec 16 19:52:47 GMT 2023 , Edited by admin on Sat Dec 16 19:52:47 GMT 2023
PRIMARY
Related Record Type Details
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