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Details

Stereochemistry ACHIRAL
Molecular Formula C53H51N12O2
Molecular Weight 888.0512
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of 1-Methyl-1,4-bis(4-((4-methyl-3-((4-(pyridin-3-yl)pyrimidin-2-yl)amino)phenyl)carbamoyl)benzyl)piperazin-1-ium

SMILES

CC1=CC=C(NC(=O)C2=CC=C(CN3CC[N+](C)(CC4=CC=C(C=C4)C(=O)NC5=CC=C(C)C(NC6=NC=CC(=N6)C7=CC=CN=C7)=C5)CC3)C=C2)C=C1NC8=NC=CC(=N8)C9=CC=CN=C9

InChI

InChIKey=QBGARNIMTBRKNN-UHFFFAOYSA-O
InChI=1S/C53H50N12O2/c1-36-8-18-44(30-48(36)62-52-56-24-20-46(60-52)42-6-4-22-54-32-42)58-50(66)40-14-10-38(11-15-40)34-64-26-28-65(3,29-27-64)35-39-12-16-41(17-13-39)51(67)59-45-19-9-37(2)49(31-45)63-53-57-25-21-47(61-53)43-7-5-23-55-33-43/h4-25,30-33H,26-29,34-35H2,1-3H3,(H3-,56,57,58,59,60,61,62,63,66,67)/p+1

HIDE SMILES / InChI

Molecular Formula C53H51N12O2
Molecular Weight 888.0512
Charge 1
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 19:52:23 GMT 2023
Edited
by admin
on Sat Dec 16 19:52:23 GMT 2023
Record UNII
Q764ES8UCR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-Methyl-1,4-bis(4-((4-methyl-3-((4-(pyridin-3-yl)pyrimidin-2-yl)amino)phenyl)carbamoyl)benzyl)piperazin-1-ium
Systematic Name English
Imatinib EP impurity D
Common Name English
Piperazinium, 1-methyl-1,4-bis[[4-[[[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]amino]carbonyl]phenyl]methyl]-
Systematic Name English
1-Methyl-1,4-bis[[4-[[[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]amino]carbonyl]phenyl]methyl]piperazinium
Systematic Name English
Code System Code Type Description
PUBCHEM
125280582
Created by admin on Sat Dec 16 19:52:23 GMT 2023 , Edited by admin on Sat Dec 16 19:52:23 GMT 2023
PRIMARY
FDA UNII
Q764ES8UCR
Created by admin on Sat Dec 16 19:52:23 GMT 2023 , Edited by admin on Sat Dec 16 19:52:23 GMT 2023
PRIMARY
CAS
1821122-73-9
Created by admin on Sat Dec 16 19:52:23 GMT 2023 , Edited by admin on Sat Dec 16 19:52:23 GMT 2023
PRIMARY