CHEBI:2896 - astemizole

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ChEBI Name astemizole
ChEBI ID CHEBI:2896
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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C28H31FN4O
Net Charge 0
Average Mass 458.57030
Monoisotopic Mass 458.248
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
SMILES COc1ccc(CCN2CCC(CC2)Nc2nc3ccccc3n2Cc2ccc(F)cc2)cc1
Roles Classification
Biological Role(s): H1-receptor antagonist
H1-receptor antagonists are the drugs that selectively bind to but do not activate histamine H1 receptors, thereby blocking the actions of endogenous histamine.
Application(s): H1-receptor antagonist
H1-receptor antagonists are the drugs that selectively bind to but do not activate histamine H1 receptors, thereby blocking the actions of endogenous histamine.
anti-allergic agent
A drug used to treat allergic reactions.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing astemizole (CHEBI:2896) has role anti-allergic agent (CHEBI:50857)
astemizole (CHEBI:2896) has role H1-receptor antagonist (CHEBI:37955)
astemizole (CHEBI:2896) is a benzimidazoles (CHEBI:22715)
astemizole (CHEBI:2896) is a piperidines (CHEBI:26151)
IUPAC Name
1-(4-fluorobenzyl)-N-{1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl}-1H-benzimidazol-2-amine
INNs Sources
astemizol ChemIDplus
astemizole KEGG DRUG
astemizolum ChemIDplus
Synonyms Sources
1-(p-Fluorobenzyl)-2-((1-(2-(p-methoxyphenyl)ethyl)piperid-4-yl)amino)benzimidazole ChemIDplus
1-(p-Fluorobenzyl)-2-((1-(p-methoxyphenethyl)-4-piperidyl)amino)benzimidazole ChemIDplus
Astemison ChemIDplus
Manual Xrefs Databases
249 DrugCentral
C06832 KEGG COMPOUND
D00234 KEGG DRUG
DB00637 DrugBank
EP5318 Patent
LSM-5502 LINCS
US4219559 Patent
View more database links
Registry Numbers Types Sources
4830190 Beilstein Registry Number Beilstein
68844-77-9 CAS Registry Number DrugBank
68844-77-9 CAS Registry Number ChemIDplus
68844-77-9 CAS Registry Number KEGG DRUG
Last Modified
22 February 2017