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dasatinib(1+)

CHEBI:CHEBI_190514

Definition

A tertiary ammonium ion that is the conjugate acid of dasatinib, resulting from the protonation of the piperazine tertiary amino group. Major microspecies at pH 7.3.

Chemical Information

Molecular Formula
C22H27ClN7O2S
Molecular Mass
489.010
Charge
+1
SMILES
CC1=NC(NC2=NC=C(S2)C(=O)NC2=C(C)C=CC=C2Cl)=CC(=N1)N1CC[NH+](CCO)CC1
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)/p+1
InChIKey
ZBNZXTGUTAYRHI-UHFFFAOYSA-O

Alternative Names

  • 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
  • dasatinib cation

Drug Classification

Important Medical Information

⚕️ This information is sourced from ChEBI (Chemical Entities of Biological Interest) database and is intended for educational purposes only.

  • Always consult with a healthcare professional before starting, stopping, or modifying any medication.
  • Side effects may vary and this list may not be comprehensive.
  • Drug interactions may occur with other medications.

Additional Identifiers

core#notation
CHEBI:190514

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Additional Attributes

oboInOwl#hasOBONamespace
chebi_ontology
oboInOwl#id
CHEBI:190514
core#notation
CHEBI:190514
oboInOwl#inSubset
http://purl.obolibrary.org/obo/chebi#3_STAR
chebi#is_conjugate_acid_of
http://purl.obolibrary.org/obo/CHEBI_49375
22-rdf-syntax-ns#type
http://www.w3.org/2002/07/owl#Class
chebi#is_conjugate_base_of
http://purl.obolibrary.org/obo/CHEBI_49375
owl#annotatedSource
t145296
owl#someValuesFrom
t230971