Dasatinib monohydrate

CAS Registry Number®

863127-77-9
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CAS Name

Dasatinib monohydrate

Molecular Formula

C22H26ClN7O2S.H2O

Cite this Page

Dasatinib monohydrate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=863127-77-9 (retrieved 2024-02-26) (CAS RN: 863127-77-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C22H26ClN7O2S.H2O/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);1H2

InChIKey

InChIKey=XHXFZZNHDVTMLI-UHFFFAOYSA-N

SMILES

N(C1=CC(N2CCN(CCO)CC2)=NC(C)=N1)C=3SC(C(NC4=C(C)C=CC=C4Cl)=O)=CN3.O

Canonical SMILES

O=C(NC=1C(Cl)=CC=CC1C)C=2SC(=NC2)NC=3N=C(N=C(C3)N4CCN(CCO)CC4)C.O

Other Names for this Substance

  • 5-Thiazolecarboxamide, N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)-1-piperazinyl]-2-methyl-4-pyrimidinyl]amino]-, hydrate (1:1)
  • 5-Thiazolecarboxamide, N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)-1-piperazinyl]-2-methyl-4-pyrimidinyl]amino]-, monohydrate
  • BMS 35482503
  • Dasatinib hydrate
  • Dasatinib monohydrate

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