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CHEBI:53509 - erlotinib hydrochloride

ChEBI IDCHEBI:53509
ChEBI Nameerlotinib hydrochloride
Stars
DefinitionThe hydrochloride salt of erlotinib.
Last Modified28 September 2018
SubmitterSteve
DownloadsMolfile
FormulaH.C22H23N3O4.Cl
Net Charge0
Average Mass429.904
Monoisotopic Mass429.14553
SMILESC#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1.[Cl-].[H+]
InChIInChI=1S/C22H23N3O4.ClH/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22;/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25);1H
InChIKeyGTTBEUCJPZQMDZ-UHFFFAOYSA-N
Roles Classification
Biological Role:
protein kinase inhibitor  An EC 2.7.* (P-containing group transferase) inhibitor that interferes with the action of protein kinases.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
erlotinib hydrochloride (CHEBI:53509) has part erlotinib (CHEBI:114785)
erlotinib hydrochloride (CHEBI:53509) has role antineoplastic agent (CHEBI:35610)
erlotinib hydrochloride (CHEBI:53509) has role protein kinase inhibitor (CHEBI:37699)
erlotinib hydrochloride (CHEBI:53509) is a hydrochloride (CHEBI:36807)
erlotinib hydrochloride (CHEBI:53509) is a terminal acetylenic compound (CHEBI:73477)
IUPAC Name 
N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine hydrochloride
Synonyms  Source
4-(m-ethynylanilino)-6,7-bis(2-methoxyethoxy)quinazoline monohydrochlorideChemIDplus
erlotinib HClChemIDplus
erlotinib hydrochlorideDrugCentral
CP 358774ChemIDplus
OSI-774ChemIDplus
NSC 718781ChEBI
Brand Name  Source
TarcevaChemIDplus
Manual XrefsDatabases
D04023KEGG DRUG
DBSALT000064DrugBank
Registry NumbersSources
Beilstein:8813963Beilstein
CAS:183319-69-9KEGG DRUG
CAS:183319-69-9ChemIDplus
Citations