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Details

Stereochemistry ACHIRAL
Molecular Formula C21H28N6O
Molecular Weight 380.4866
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-[3-[(Aminoiminomethyl)amino]-4-methylphenyl]-4-[(4-methyl-1-piperazinyl)methyl]benzamide

SMILES

CN1CCN(CC2=CC=C(C=C2)C(=O)NC3=CC(NC(N)=N)=C(C)C=C3)CC1

InChI

InChIKey=AJNIAMJOBVYWFM-UHFFFAOYSA-N
InChI=1S/C21H28N6O/c1-15-3-8-18(13-19(15)25-21(22)23)24-20(28)17-6-4-16(5-7-17)14-27-11-9-26(2)10-12-27/h3-8,13H,9-12,14H2,1-2H3,(H,24,28)(H4,22,23,25)

HIDE SMILES / InChI

Molecular Formula C21H28N6O
Molecular Weight 380.4866
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 Mon Mar 31 23:19:23 GMT 2025
Edited
by admin
on Mon Mar 31 23:19:23 GMT 2025
Record UNII
GU9XYG8THC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-[3-[(Aminoiminomethyl)amino]-4-methylphenyl]-4-[(4-methyl-1-piperazinyl)methyl]benzamide
Systematic Name English
Imatinib Mesilate Impurity B [EP IMPURITY]
Preferred Name English
N-(3-carbamimidamido-4-methylphenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide
Systematic Name English
Benzamide, N-[3-[(aminoiminomethyl)amino]-4-methylphenyl]-4-[(4-methyl-1-piperazinyl)methyl]-
Systematic Name English
Code System Code Type Description
FDA UNII
GU9XYG8THC
Created by admin on Mon Mar 31 23:19:23 GMT 2025 , Edited by admin on Mon Mar 31 23:19:23 GMT 2025
PRIMARY
EPA CompTox
DTXSID901121965
Created by admin on Mon Mar 31 23:19:23 GMT 2025 , Edited by admin on Mon Mar 31 23:19:23 GMT 2025
PRIMARY
CAS
581076-65-5
Created by admin on Mon Mar 31 23:19:23 GMT 2025 , Edited by admin on Mon Mar 31 23:19:23 GMT 2025
PRIMARY
PUBCHEM
29980915
Created by admin on Mon Mar 31 23:19:23 GMT 2025 , Edited by admin on Mon Mar 31 23:19:23 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> IMPURITY