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Chemical Entities of Biological Interest Ontology
Last uploaded:
January 1, 2025
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| Preferred Name | erlotinib hydrochloride | |
| Synonyms |
4-(m-ethynylanilino)-6,7-bis(2-methoxyethoxy)quinazoline monohydrochloride N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)-4-quinazolinamine monohydrochloride CP-358,774 Tarceva OSI-774 CP 358774 NSC 718781 erlotinib HCl erlotinib hydrochloride N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine hydrochloride |
|
| Definitions |
The hydrochloride salt of erlotinib. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_53509 |
|
| charge |
0
|
|
| database_cross_reference |
PMID:26323931 Beilstein:8813963 CAS:183319-69-9 DrugBank:DBSALT000064 KEGG:D04023
|
|
| definition |
The hydrochloride salt of erlotinib.
|
|
| formula |
C22H24ClN3O4
|
|
| has part | ||
| has role | ||
| has_exact_synonym |
erlotinib hydrochloride N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine hydrochloride
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|
| has_obo_namespace |
chebi_ontology
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|
| has_related_synonym |
4-(m-ethynylanilino)-6,7-bis(2-methoxyethoxy)quinazoline monohydrochloride N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)-4-quinazolinamine monohydrochloride CP-358,774 Tarceva OSI-774 CP 358774 NSC 718781 erlotinib HCl
|
|
| id |
CHEBI:53509
|
|
| in_subset | ||
| 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
|
|
| label |
erlotinib hydrochloride
|
|
| mass |
429.89700
|
|
| monoisotopicmass |
429.14553
|
|
| notation |
CHEBI:53509
|
|
| prefLabel |
erlotinib hydrochloride
|
|
| smiles |
[H+].[Cl-].COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC
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| treeView | ||
| subClassOf |
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