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Substance Name: Canertinib dihydrochloride [USAN]
RN: 289499-45-2
UNII: ICJ93X8X90
InChIKey: JZZFDCXSFTVOJY-UHFFFAOYSA-N

Note

  • NCI: The hydrochloride salt of an orally bio-available quinazoline with potential antineoplastic and radiosensitizing activities. Canertinib binds to the intracellular domains of epidermal growth factor receptor tyrosine kinases (ErbB family), irreversibly inhibiting their signal transduction functions and resulting in tumor cell apoptosis and suppression of tumor cell proliferation. This agent also acts as a radiosensitizing agent and displays synergistic activity with other chemotherapeutic agents. (NCI Thesaurus)

Molecular Formula

  • C24-H25-Cl-F-N5-O3.2Cl-H

Molecular Weight

  • 558.8663
 

Classification Codes

  • Anesthetics
  • Anesthetics, Local
  • Antineoplastic Agents
  • Cardiotonic Agents
  • Cardiovascular Agents
  • Central Nervous System Agents
  • Central Nervous System Depressants
  • Peripheral Nervous System Agents
  • Protective Agents
  • Sensory System Agents
  • Treatment of Epithelial Tumors
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Names and Synonyms

Name of Substance

  • Canertinib dihydrochloride
  • Canertinib dihydrochloride [USAN]

Synonyms

  • 2-Propenamide, N-(4-((3-chloro-4-fluorophenyl)amino)-7-(3-(4-morpholinyl)propoxy)-6-quinazolinyl)-, dihydrochloride
  • Canertinib dihydrochloride
  • Canertinib HCl
  • CI 1033
  • CI-1033
  • N-(4-(3-Chloro-4-fluorophenyl)amino)-7-(3-morpholin-4-yl)propoxy)quinazolin-6-yl)prop-2-enamide dihydrochloride
  • PD 183805
  • PD-0183805
  • PD-183805
  • PD183805
  • UNII-ICJ93X8X90

Systematic Names

  • 2-Propenamide, N-(4-((3-chloro-4-fluorophenyl) amino)-7-(3-(4-morpholinyl) propoxy)-6-quinazolinyl)-, dihydrochloride
  • N-(4-(3-Chloro-4-fluorophenyl)amino)-7-(3-morpholin-4-yl)propoxy)quinazolin-6-yl)prop-2-enamide dihydrochloride

Registry Numbers

CAS Registry Number

  • 289499-45-2

FDA UNII

  • ICJ93X8X90

System Generated Number

  • 0289499452

Molecular Formulas

Molecular Formula

  • C24-H25-Cl-F-N5-O3.2Cl-H

Molecular Formula Fragments

  • C24-H25-Cl-F-N5-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C24H25ClFN5O3.2ClH/c1-2-23(32)30-21-13-17-20(14-22(21)34-9-3-6-31-7-10-33-11-8-31)27-15-28-24(17)29-16-4-5-19(26)18(25)12-16;;/h2,4-5,12-15H,1,3,6-11H2,(H,30,32)(H,27,28,29);2*1H

InChIKey

JZZFDCXSFTVOJY-UHFFFAOYSA-N

Smiles

Cl.Cl.Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl