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

Details

Stereochemistry ACHIRAL
Molecular Formula C36H34Cl2N12O2S2
Molecular Weight 801.77
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,2′-[1,4-piperazinediylbis[(2-methyl-6,4-pyrimidinediyl)imino]]bis[N-(2-chloro-6-methylphenyl)-5-Thiazolecarboxamide

SMILES

CC1=NC(NC2=NC=C(S2)C(=O)NC3=C(C)C=CC=C3Cl)=CC(=N1)N4CCN(CC4)C5=NC(C)=NC(NC6=NC=C(S6)C(=O)NC7=C(C)C=CC=C7Cl)=C5

InChI

InChIKey=QBKZXQDFDIASAL-UHFFFAOYSA-N
InChI=1S/C36H34Cl2N12O2S2/c1-19-7-5-9-23(37)31(19)47-33(51)25-17-39-35(53-25)45-27-15-29(43-21(3)41-27)49-11-13-50(14-12-49)30-16-28(42-22(4)44-30)46-36-40-18-26(54-36)34(52)48-32-20(2)8-6-10-24(32)38/h5-10,15-18H,11-14H2,1-4H3,(H,47,51)(H,48,52)(H,39,41,43,45)(H,40,42,44,46)

HIDE SMILES / InChI

Molecular Formula C36H34Cl2N12O2S2
Molecular Weight 801.77
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 18:49:48 GMT 2023
Edited
by admin
on Sat Dec 16 18:49:48 GMT 2023
Record UNII
KN4MSL5V2C
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,2′-[1,4-piperazinediylbis[(2-methyl-6,4-pyrimidinediyl)imino]]bis[N-(2-chloro-6-methylphenyl)-5-Thiazolecarboxamide
Systematic Name English
Dasatinib Dimeric Impurity
Common Name English
5-Thiazolecarboxamide, 2,2′-[1,4-piperazinediylbis[(2-methyl-6,4-pyrimidinediyl)imino]]bis[N-(2-chloro-6-methylphenyl)-
Systematic Name English
Code System Code Type Description
CAS
910297-61-9
Created by admin on Sat Dec 16 18:49:48 GMT 2023 , Edited by admin on Sat Dec 16 18:49:48 GMT 2023
PRIMARY
PUBCHEM
57940724
Created by admin on Sat Dec 16 18:49:48 GMT 2023 , Edited by admin on Sat Dec 16 18:49:48 GMT 2023
PRIMARY
FDA UNII
KN4MSL5V2C
Created by admin on Sat Dec 16 18:49:48 GMT 2023 , Edited by admin on Sat Dec 16 18:49:48 GMT 2023
PRIMARY