BioModels Ontology

Last uploaded: April 3, 2012
Preferred Name

erlotinib hydrochloride
Synonyms
Definitions

A quinazoline hydrochloride compound having a (3-ethynylphenyl)amino group at the 4-position and two 2-methoxyethoxy groups at the 6- and 7-positions.

ID

http://purl.obolibrary.org/obo/CHEBI_53509

alternative term

4-(m-Ethynylanilino)-6,7-bis(2-methoxyethoxy)quinazoline monohydrochloride

InChIKey=GTTBEUCJPZQMDZ-UHFFFAOYSA-N

C22H24ClN3O4

Erlotinib HCl

[H+].[Cl-].COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC

N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine hydrochloride

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

definition

A quinazoline hydrochloride compound having a (3-ethynylphenyl)amino group at the 4-position and two 2-methoxyethoxy groups at the 6- and 7-positions.

has part

http://purl.obolibrary.org/obo/CHEBI_114785

has role

http://purl.obolibrary.org/obo/CHEBI_35610

http://purl.obolibrary.org/obo/CHEBI_37699

label

erlotinib hydrochloride

prefixIRI

CHEBI:53509

prefLabel

erlotinib hydrochloride

subClassOf

http://purl.obolibrary.org/obo/CHEBI_36807

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