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The Drug-Drug Interactions Ontology
Last uploaded:
February 11, 2016
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| Preferred Name | erlotinib hydrochloride | |
| Synonyms |
Erlotinib HCl 4-(m-Ethynylanilino)-6,7-bis(2-methoxyethoxy)quinazoline monohydrochloride C22H24ClN3O4 N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine hydrochloride |
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| ID |
http://purl.obolibrary.org/obo/CHEBI_53509 |
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| 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.
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| has role | ||
| 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
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| InChIKey |
InChIKey=GTTBEUCJPZQMDZ-UHFFFAOYSA-N
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| label |
erlotinib hydrochloride
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| prefixIRI |
obo2:CHEBI_53509
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| prefLabel |
erlotinib hydrochloride
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| SMILES |
[H+].[Cl-].COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC
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| Synonym |
Erlotinib HCl 4-(m-Ethynylanilino)-6,7-bis(2-methoxyethoxy)quinazoline monohydrochloride C22H24ClN3O4 N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine hydrochloride
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| xref |
DrugBank:DB00530 KEGG DRUG:D04023 Beilstein:8813963 CASRN:183319-69-9 ChEMBL:711647
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| subClassOf |
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