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Details

Stereochemistry ACHIRAL
Molecular Formula C22H27N7O3S
Molecular Weight 469.56
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2'-Deschloro-2'-hydroxy dasatinib

SMILES

CC1=NC(NC2=NC=C(S2)C(=O)NC3=C(C)C=CC=C3O)=CC(=N1)N4CCN(CCO)CC4

InChI

InChIKey=QSYUTCLLUVARSF-UHFFFAOYSA-N
InChI=1S/C22H27N7O3S/c1-14-4-3-5-16(31)20(14)27-21(32)17-13-23-22(33-17)26-18-12-19(25-15(2)24-18)29-8-6-28(7-9-29)10-11-30/h3-5,12-13,30-31H,6-11H2,1-2H3,(H,27,32)(H,23,24,25,26)

HIDE SMILES / InChI

Approval Year

Name Type Language
2'-Deschloro-2'-hydroxy dasatinib
Common Name English
5-Thiazolecarboxamide, 2-[[6-[4-(2-hydroxyethyl)-1-piperazinyl]-2-methyl-4-pyrimidinyl]amino]-N-(2-hydroxy-6-methylphenyl)-
Systematic Name English
ASK-049-05
Common Name English
2-[[6-[4-(2-Hydroxyethyl)-1-piperazinyl]-2-methyl-4-pyrimidinyl]amino]-N-(2-hydroxy-6-methylphenyl)-5-thiazolecarboxamide
Systematic Name English
N-(2-Hydroxy-6-methylphenyl)-2-((6-(4-(2-hydroxyethyl)piperazin-1-yl)-2-methylpyrimidin-4-yl)amino)thiazole-5-carboxamide
Systematic Name English
Code System Code Type Description
CAS
1159977-25-9
Created by admin on Sat Dec 16 19:49:12 GMT 2023 , Edited by admin on Sat Dec 16 19:49:12 GMT 2023
PRIMARY
FDA UNII
9EU2G6Q9CG
Created by admin on Sat Dec 16 19:49:12 GMT 2023 , Edited by admin on Sat Dec 16 19:49:12 GMT 2023
PRIMARY
PUBCHEM
46781120
Created by admin on Sat Dec 16 19:49:12 GMT 2023 , Edited by admin on Sat Dec 16 19:49:12 GMT 2023
PRIMARY