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ponatinib(1+)

CHEBI:CHEBI_191939

Definition

A tertiary ammonium ion that is the conjugate acid of ponatinib resulting from the protonation of the piperazine nitrogen. Major microspecies at pH 7.3.

Chemical Information

Molecular Formula
C29H28F3N6O
Molecular Mass
533.579
Charge
+1
SMILES
C[NH+]1CCN(CC2=CC=C(NC(=O)C3=CC(C#CC4=CN=C5C=CC=NN45)=C(C)C=C3)C=C2C(F)(F)F)CC1
InChI
InChI=1S/C29H27F3N6O/c1-20-5-6-22(16-21(20)8-10-25-18-33-27-4-3-11-34-38(25)27)28(39)35-24-9-7-23(26(17-24)29(30,31)32)19-37-14-12-36(2)13-15-37/h3-7,9,11,16-18H,12-15,19H2,1-2H3,(H,35,39)/p+1
InChIKey
PHXJVRSECIGDHY-UHFFFAOYSA-O

Alternative Names

  • 4-{[4-{3-[(imidazo[1,2-b]pyridazin-3-yl)ethynyl]-4-methylbenzamido}-2-(trifluoromethyl)phenyl]methyl}-1-methylpiperazin-1-ium
  • 4-{4-[3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylbenzamido]-2-(trifluoromethyl)benzyl}-1-methylpiperazin-1-ium

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:191939

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Additional Attributes

chebi#is_conjugate_base_of
http://purl.obolibrary.org/obo/CHEBI_78543
owl#annotatedSource
t145162
owl#someValuesFrom
t299308
oboInOwl#hasOBONamespace
chebi_ontology
oboInOwl#id
CHEBI:191939
core#notation
CHEBI:191939
oboInOwl#inSubset
http://purl.obolibrary.org/obo/chebi#3_STAR
chebi#is_conjugate_acid_of
http://purl.obolibrary.org/obo/CHEBI_78543
22-rdf-syntax-ns#type
http://www.w3.org/2002/07/owl#Class