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Details

Stereochemistry ACHIRAL
Molecular Formula C13H18N2O2.2ClH
Molecular Weight 307.216
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

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

SMILES

Cl.Cl.CN1CCN(CC2=CC=C(C=C2)C(O)=O)CC1

InChI

InChIKey=ISHROKOWRJDOSN-UHFFFAOYSA-N
InChI=1S/C13H18N2O2.2ClH/c1-14-6-8-15(9-7-14)10-11-2-4-12(5-3-11)13(16)17;;/h2-5H,6-10H2,1H3,(H,16,17);2*1H

HIDE SMILES / InChI

Molecular Formula C13H18N2O2
Molecular Weight 234.2942
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

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

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:11:15 GMT 2023
Edited
by admin
on Sat Dec 16 18:11:15 GMT 2023
Record UNII
DJ6E7RG2D9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-((4-METHYL-1-PIPERAZINYL)METHYL)BENZOIC ACID DIHYDROCHLORIDE
Systematic Name English
BENZOIC ACID, 4-((4-METHYL-1-PIPERAZINYL)METHYL)-, HYDROCHLORIDE (1:2)
Systematic Name English
4-((4-METHYLPIPERAZINYL)METHYL)BENZOIC ACID DIHYDROCHLORIDE
Common Name English
4-(4-METHYLPIPERAZINOMETHYL)BENZOIC ACID DIHYDROCHLORIDE
Common Name English
BENZOIC ACID, 4-((4-METHYL-1-PIPERAZINYL)METHYL)-, DIHYDROCHLORIDE
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID00438349
Created by admin on Sat Dec 16 18:11:15 GMT 2023 , Edited by admin on Sat Dec 16 18:11:15 GMT 2023
PRIMARY
PUBCHEM
10335346
Created by admin on Sat Dec 16 18:11:15 GMT 2023 , Edited by admin on Sat Dec 16 18:11:15 GMT 2023
PRIMARY
CAS
106261-49-8
Created by admin on Sat Dec 16 18:11:15 GMT 2023 , Edited by admin on Sat Dec 16 18:11:15 GMT 2023
PRIMARY
FDA UNII
DJ6E7RG2D9
Created by admin on Sat Dec 16 18:11:15 GMT 2023 , Edited by admin on Sat Dec 16 18:11:15 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE