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The Prescription of Drugs Ontology
Last uploaded:
September 4, 2020
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| Preferred Name | Astemizole | |
| Synonyms |
1-(p-Fluorobenzyl)-2-((1-(p-methoxyphenethyl)-4-piperidyl)amino)benzimidazole 1-(p-Fluorobenzyl)-2-((1-(2-(p-methoxyphenyl)ethyl)piperid-4-yl)amino)benzimidazole astemizolum Astemison astemizol astemizole 1-(4-fluorobenzyl)-N-{1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl}-1H-benzimidazol-2-amine |
|
| Definitions |
A piperidine compound having a 2-(4-methoxyphenyl)ethyl group at the 1-position and an N-[(4-fluorobenzyl)benzimidazol-2-yl]amino group at the 4-position. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_2896 |
|
| alternative term |
1-(p-Fluorobenzyl)-2-((1-(p-methoxyphenethyl)-4-piperidyl)amino)benzimidazole 1-(p-Fluorobenzyl)-2-((1-(2-(p-methoxyphenyl)ethyl)piperid-4-yl)amino)benzimidazole astemizolum Astemison astemizol astemizole 1-(4-fluorobenzyl)-N-{1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl}-1H-benzimidazol-2-amine
|
|
| bearer_of |
http://purl.obolibrary.org/obo/CHEBI_37955 |
|
| charge |
0
|
|
| database_cross_reference |
KEGG:D00234 CAS:68844-77-9 KEGG:C06832 Drug_Central:249 Beilstein:4830190 Patent:US4219559 DrugBank:DB00637 Patent:EP5318 LINCS:LSM-5502
|
|
| formula |
C28H31FN4O
|
|
| has role |
http://purl.obolibrary.org/obo/CHEBI_37955 |
|
| has_exact_synonym |
1-(4-fluorobenzyl)-N-{1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl}-1H-benzimidazol-2-amine
|
|
| has_obo_namespace |
chebi_ontology
|
|
| has_related_synonym |
1-(p-Fluorobenzyl)-2-((1-(p-methoxyphenethyl)-4-piperidyl)amino)benzimidazole 1-(p-Fluorobenzyl)-2-((1-(2-(p-methoxyphenyl)ethyl)piperid-4-yl)amino)benzimidazole astemizolum Astemison astemizol astemizole
|
|
| has_RxCUI |
42328
|
|
| id |
CHEBI:2896
|
|
| in_subset | ||
| inchi |
InChI=1S/C28H31FN4O/c1-34-25-12-8-21(9-13-25)14-17-32-18-15-24(16-19-32)30-28-31-26-4-2-3-5-27(26)33(28)20-22-6-10-23(29)11-7-22/h2-13,24H,14-20H2,1H3,(H,30,31)
|
|
| inchikey |
GXDALQBWZGODGZ-UHFFFAOYSA-N
|
|
| label |
astemizole Astemizole
|
|
| mass |
458.57030
|
|
| monoisotopicmass |
458.24819
|
|
| notation |
CHEBI:2896
|
|
| prefixIRI |
CHEBI:2896
|
|
| prefLabel |
Astemizole
|
|
| smiles |
COc1ccc(CCN2CCC(CC2)Nc2nc3ccccc3n2Cc2ccc(F)cc2)cc1
|
|
| textual definition |
A piperidine compound having a 2-(4-methoxyphenyl)ethyl group at the 1-position and an N-[(4-fluorobenzyl)benzimidazol-2-yl]amino group at the 4-position.
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|
| subClassOf |
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