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dasatinib (anhydrous)

Properties

Image

Occurences in reactions

MNX_ID

MNXM507546

	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

formula

C₂₂H₂₆ClN₇O₂S

charge

mass

487.15572

reference

chebi:49375

InChIKey

ZBNZXTGUTAYRHI-UHFFFAOYSA-N

InChI

InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)

SMILES

Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1

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Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:49375 chebi:49375	dasatinib (anhydrous) BMS Dasatinib BMS-354825 N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE N-(2-chloro-6-methylphenyl)-2-({6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl}amino)-1,3-thiazole-5-carboxamide anh. dasatinib anhydrous dasatinib dasatinib dasatinib (anh.) dasatinibum
kegg.drug:D03658 keggD:D03658	Dasatinib (JAN/INN)
hmdb:HMDB0015384	Dasatinib (18F)-N-(2-Chloro-6-methylphenyl)-2-(6-(4-(2-hydroxyethyl)piperazin-1-yl)-2-methylpyrimidin-4-ylamino)thiazole-5-carboxamide Anh. dasatinib Anhydrous dasatinib BMS Dasatinib BMS-354825 Dasatinib (anh.) Dasatinibum N-(2-CHLORO-6-methylphenyl)-2-({6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl}amino)-1,3-thiazole-5-carboxamide N-(2-Chloro-6-methylphenyl)-2-(6-(4-(2-hydroxyethyl)piperazin-1-yl)-2-methylpyrimidin-4-ylamino)thiazole-5-carboxamide N-(2-chloro-6-methylphenyl)-2-({6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl}amino)-1,3-thiazole-5-carboxamide Sprycel dasatinib
sabiork.compound:31256 sabiorkM:31256	Dasatinib N-(2-Chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide
hmdb:HMDB15384 chebi:38943 chebi:49372 keggD:M_D03658	secondary/obsolete/fantasy identifier