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Details

Stereochemistry ACHIRAL
Molecular Formula C22H26ClN7O3S
Molecular Weight 504.005
Optical Activity NONE
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-(2-CHLORO-6-METHYL-PHENYL)-2-((6-(4-(2-HYDROXYETHYL)-4-OXIDO-PIPERAZIN-4-IUM-1-YL)-2-METHYL-PYRIMIDIN-4-YL)AMINO)THIAZOLE-5-CARBOXAMIDE

SMILES

CC1=NC(=CC(NC2=NC=C(S2)C(=O)NC3=C(C)C=CC=C3Cl)=N1)N4CC[N+]([O-])(CCO)CC4

InChI

InChIKey=UEFNEEZCTQCRAW-UHFFFAOYSA-N
InChI=1S/C22H26ClN7O3S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(34-17)27-18-12-19(26-15(2)25-18)29-6-8-30(33,9-7-29)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)

HIDE SMILES / InChI

Molecular Formula C22H26ClN7O3S
Molecular Weight 504.005
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 23:05:38 GMT 2025
Edited
by admin
on Mon Mar 31 23:05:38 GMT 2025
Record UNII
B16WQA6880
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BMS-606181
Preferred Name English
N-(2-CHLORO-6-METHYL-PHENYL)-2-((6-(4-(2-HYDROXYETHYL)-4-OXIDO-PIPERAZIN-4-IUM-1-YL)-2-METHYL-PYRIMIDIN-4-YL)AMINO)THIAZOLE-5-CARBOXAMIDE
Systematic Name English
DASATINIB METABOLITE M5
Common Name English
5-THIAZOLECARBOXAMIDE, N-(2-CHLORO-6-METHYLPHENYL)-2-((6-(4-(2-HYDROXYETHYL)-4-OXIDO-1-PIPERAZINYL)-2-METHYL-4-PYRIMIDINYL)AMINO)-
Systematic Name English
Code System Code Type Description
FDA UNII
B16WQA6880
Created by admin on Mon Mar 31 23:05:38 GMT 2025 , Edited by admin on Mon Mar 31 23:05:38 GMT 2025
PRIMARY
EPA CompTox
DTXSID50474434
Created by admin on Mon Mar 31 23:05:38 GMT 2025 , Edited by admin on Mon Mar 31 23:05:38 GMT 2025
PRIMARY
CAS
910297-52-8
Created by admin on Mon Mar 31 23:05:38 GMT 2025 , Edited by admin on Mon Mar 31 23:05:38 GMT 2025
PRIMARY
PUBCHEM
11854535
Created by admin on Mon Mar 31 23:05:38 GMT 2025 , Edited by admin on Mon Mar 31 23:05:38 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> METABOLITE LESS ACTIVE