CHEBI:53509 - erlotinib hydrochloride

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ChEBI Name erlotinib hydrochloride
ChEBI ID CHEBI:53509
Definition The hydrochloride salt of erlotinib.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C22H24ClN3O4
Net Charge 0
Average Mass 429.89700
Monoisotopic Mass 429.146
InChI InChI=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
InChIKey GTTBEUCJPZQMDZ-UHFFFAOYSA-N
SMILES [H+].[Cl-].COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC
Roles Classification
Biological Role(s): protein kinase inhibitor
An EC 2.7.* (P-containing group transferase) inhibitor that interferes with the action of protein kinases.
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
4-(m-ethynylanilino)-6,7-bis(2-methoxyethoxy)quinazoline monohydrochloride ChemIDplus
CP 358774 ChemIDplus
CP-358,774 ChEBI
erlotinib HCl ChemIDplus
erlotinib hydrochloride DrugCentral
N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)-4-quinazolinamine monohydrochloride ChEBI
NSC 718781 ChEBI
OSI-774 ChemIDplus
Brand Name Source
Tarceva ChemIDplus
Manual Xrefs Databases
D04023 KEGG DRUG
DBSALT000064 DrugBank
View more database links
Registry Numbers Types Sources
183319-69-9 CAS Registry Number ChemIDplus
183319-69-9 CAS Registry Number KEGG DRUG
8813963 Beilstein Registry Number Beilstein
Citation Waiting for Citations Type Source
26323931 PubMed citation Europe PMC
Last Modified
28 September 2018