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

Details

Stereochemistry ACHIRAL
Molecular Formula C22H26ClN7O3S
Molecular Weight 504.005
Optical Activity NONE
Defined Stereocenters 0 / 0
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(NC2=NC=C(S2)C(=O)NC3=C(Cl)C=CC=C3C)=CC(=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

Approval Year

Name Type Language
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
BMS-606181
Code 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 Sat Dec 16 10:10:25 GMT 2023 , Edited by admin on Sat Dec 16 10:10:25 GMT 2023
PRIMARY
EPA CompTox
DTXSID50474434
Created by admin on Sat Dec 16 10:10:25 GMT 2023 , Edited by admin on Sat Dec 16 10:10:25 GMT 2023
PRIMARY
CAS
910297-52-8
Created by admin on Sat Dec 16 10:10:25 GMT 2023 , Edited by admin on Sat Dec 16 10:10:25 GMT 2023
PRIMARY
PUBCHEM
11854535
Created by admin on Sat Dec 16 10:10:25 GMT 2023 , Edited by admin on Sat Dec 16 10:10:25 GMT 2023
PRIMARY