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dasatinib (anhydrous)

PropertiesImage
MNX_IDMNXM507546 Image of MNXM507546
referencechebi:49375
formulaC22H26ClN7O2S
global charge0
mol weight488.017
InChIKeyZBNZXTGUTAYRHI-UHFFFAOYSA-N
InChIInChI=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)
SMILESCC1=CC=CC(Cl)=C1NC(=O)C1=CN=C(NC2=CC(N3CCN(CCO)CC3)=NC(C)=N2)S1
MNX internals
InChI (mnx)InChI=1/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) Image of MNXM507546
SMILES (mnx)[CH3:1][C:14]1=[C:20]([N:28]=[C:21]([C:17]2=[CH:13][N:24]=[C:22]([NH:27][C:18]3=[CH:12][C:19]([N:30]4[CH2:8][CH2:6][N:29]([CH2:10][CH2:11][OH:31])[CH2:7][CH2:9]4)=[N:26][C:15]([CH3:2])=[N:25]3)[S:33]2)[OH:32])[C:16]([Cl:23])=[CH:5][CH:3]=[CH:4]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:49375
chebi:49375
ZBNZXTGUTAYRHI-UHFFFAOYSA-N 		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
ZBNZXTGUTAYRHI-UHFFFAOYSA-N 		Dasatinib (JAN/INN)
hmdb:HMDB0015384
ZBNZXTGUTAYRHI-UHFFFAOYSA-N 		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
ZBNZXTGUTAYRHI-UHFFFAOYSA-N 		Dasatinib
N-(2-Chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide

CHEBI:190514
chebi:190514
ZBNZXTGUTAYRHI-UHFFFAOYSA-O 		dasatinib
4-[6-({5-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-2-yl}amino)-2-methylpyrimidin-4-yl]-1-(2-hydroxyethyl)piperazin-1-ium
dasatinib cation
dasatinib(1+)

hmdb:HMDB15384
chebi:38943
chebi:49372
keggD:M_D03658 		secondary/obsolete/fantasy identifier