2'-Deschloro-2'-hydroxy dasatinib

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

Structure Search

SMILES

CC1=NC(NC2=NC=C(S2)C(=O)NC3=C(O)C=CC=C3C)=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

Molecular Formula	C22H27N7O3S
Molecular Weight	469.56
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 `Wed Apr 02 17:21:03 GMT 2025` Edited by `admin` on `Wed Apr 02 17:21:03 GMT 2025`
Record UNII	9EU2G6Q9CG
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2'-Deschloro-2'-hydroxy dasatinib

Common Name

English

ASK-049-05

Preferred Name

English

5-Thiazolecarboxamide, 2-[[6-[4-(2-hydroxyethyl)-1-piperazinyl]-2-methyl-4-pyrimidinyl]amino]-N-(2-hydroxy-6-methylphenyl)-

Systematic 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 Wed Apr 02 17:21:03 GMT 2025 , Edited by admin on Wed Apr 02 17:21:03 GMT 2025

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EPA CompTox

DTXSID40675791

Created by admin on Wed Apr 02 17:21:03 GMT 2025 , Edited by admin on Wed Apr 02 17:21:03 GMT 2025

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FDA UNII

9EU2G6Q9CG

Created by admin on Wed Apr 02 17:21:03 GMT 2025 , Edited by admin on Wed Apr 02 17:21:03 GMT 2025

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PUBCHEM

46781120

Created by admin on Wed Apr 02 17:21:03 GMT 2025 , Edited by admin on Wed Apr 02 17:21:03 GMT 2025

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