Dasatinib

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Formula C21H24ClN7O2S
IUPAC Name acetylene; 2-chloropenta-2,3-dienenitrile; formaldehyde; hydrogen sulfide; methylidyne(methylidyneammoniomethyl)ammonium; methylidyne-[1,3,3-tris(methylidyneammonio)propa-1,2-dienyl]ammonium; prop-1-yne; hydrate
Molecular Mass 473.979 g·mol−1
Heat of Formation 6665.1 ± 16.7 kJ·mol−1
Dipole Moment 18.82 ± 1.08 D
Volume 653.38 Å 3
Surface Area 644.61 Å 2
HOMO Energy -6.58 ± 0.55 eV
LUMO Energy -3.32 ± eV
Point Group Symmetry C1
Synonyms
  • 1n1
  • 5-thiazolecarboxamide, n-(2-chloro-6-methylphenyl)-2-((6-(4-(2-hydroxyethyl)-1-piperazinyl)-2-methyl-4-pyrimidinyl)amino)-
  • bcb03_000715
  • bms 354825
  • bms-354825
  • bms354825
  • d03658
  • dasatinib (usan)
  • n-(2-chloro-6-methyl-phenyl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methyl-pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide
  • n-(2-chloro-6-methyl-phenyl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methyl-pyrimidin-4-yl]amino]thiazole-5-carboxamide
  • n-(2-chloro-6-methylphenyl)-2-((6-(4-(2-hydroxyethyl)piperazin-1-yl)-2-methylpyrimidin-4-yl)amino)thiazole-5-carboxamide
  • n-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)-1-piperazinyl]-2-methyl-4-pyrimidinyl]amino]-5-thiazolecarboxamide
  • n-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)-1-piperazinyl]-2-methyl-4-pyrimidinyl]amino]-5-thiazolecarboxamide, monohydrate
  • sprycel
CAS Number(s)
  • 302962-49-8
InChIKey ZBNZXTGUTAYRHI-UHFFFAOYSA-N
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Elements S N C O Cl