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Chemical Entities of Biological Interest Ontology
Last uploaded:
December 1, 2024
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| Preferred Name | erlotinib | |
| Synonyms |
erlotinib [6,7-bis(2-methoxy-ethoxy)quinazoline-4-yl]-(3-ethynylphenyl)amine erlotinibum [6,7-bis-(2-methoxy-ethoxy)-quinazolin-4-yl]-(3-ethynyl-phenyl)-amine N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine |
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| Definitions |
A quinazoline 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_114785 |
|
| charge |
0
|
|
| database_cross_reference |
DrugBank:DB00530 PMID:16014882 PMID:30150014 PMID:12270171 PMID:30158288 PMID:29579331 PMID:16480284 CAS:183321-74-6 PMID:17889528 PMID:29448920 Reaxys:8798958 PDBeChem:AQ4 PMID:30071517 LINCS:LSM-1097 PMID:16014883 Patent:US2010094004 PMID:14684309 KEGG:D07907 PMID:17983745 PMID:15711537 Wikipedia:Erlotinib Drug_Central:1045 HMDB:HMDB0014671 PMID:30039303 PMID:29687154
|
|
| definition |
A quinazoline compound having a (3-ethynylphenyl)amino group at the 4-position and two 2-methoxyethoxy groups at the 6- and 7-positions.
|
|
| formula |
C22H23N3O4
|
|
| has role |
http://purl.obolibrary.org/obo/CHEBI_35610 |
|
| has_alternative_id |
CHEBI:40877
|
|
| has_exact_synonym |
N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine
|
|
| has_obo_namespace |
chebi_ontology
|
|
| has_related_synonym |
erlotinib [6,7-bis(2-methoxy-ethoxy)quinazoline-4-yl]-(3-ethynylphenyl)amine erlotinibum [6,7-bis-(2-methoxy-ethoxy)-quinazolin-4-yl]-(3-ethynyl-phenyl)-amine
|
|
| id |
CHEBI:114785
|
|
| in_subset | ||
| inchi |
InChI=1S/C22H23N3O4/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)
|
|
| inchikey |
AAKJLRGGTJKAMG-UHFFFAOYSA-N
|
|
| label |
erlotinib
|
|
| mass |
393.43570
|
|
| monoisotopicmass |
393.16886
|
|
| notation |
CHEBI:114785
|
|
| prefLabel |
erlotinib
|
|
| smiles |
COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC
|
|
| treeView |
http://purl.obolibrary.org/obo/CHEBI_73477 http://purl.obolibrary.org/obo/CHEBI_35618 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_73477 http://purl.obolibrary.org/obo/CHEBI_35618 |
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