CHEBI:4779 - emedastine

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ChEBI Name emedastine
ChEBI ID CHEBI:4779
Definition 1-Methyl-1,4-diazepane in which the hydrogen attached to the nitrogen at position 4 is substituted by a 1-(2-ethoxyethyl)-1H-benzimidazol-2-yl group. A relatively selective histamine H1 antagonist, it is used as the difumatate salt for allergic rhinitis, urticaria, and pruritic skin disorders, and in eyedrops for the symptomatic relief of allergic conjuntivitis.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:119712
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Formula C17H26N4O
Net Charge 0
Average Mass 302.41450
Monoisotopic Mass 302.211
InChI InChI=1S/C17H26N4O/c1-3-22-14-13-21-16-8-5-4-7-15(16)18-17(21)20-10-6-9-19(2)11-12-20/h4-5,7-8H,3,6,9-14H2,1-2H3
InChIKey KBUZBQVCBVDWKX-UHFFFAOYSA-N
SMILES CCOCCn1c(nc2ccccc12)N1CCCN(C)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.
antipruritic drug
A drug, usually applied topically, that relieves pruritus (itching).
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ChEBI Ontology
Outgoing emedastine (CHEBI:4779) has role anti-allergic agent (CHEBI:50857)
emedastine (CHEBI:4779) has role antipruritic drug (CHEBI:59683)
emedastine (CHEBI:4779) has role H1-receptor antagonist (CHEBI:37955)
emedastine (CHEBI:4779) is a benzimidazoles (CHEBI:22715)
Incoming emedastine difumarate (CHEBI:59865) has part emedastine (CHEBI:4779)
IUPAC Name
1-(2-ethoxyethyl)-2-(4-methyl-1,4-diazepan-1-yl)-1H-benzimidazole
INNs Sources
emedastina ChemIDplus
emedastine ChemIDplus
emedastinum ChemIDplus
Synonyms Sources
1-(2-Ethoxy-ethyl)-2-(4-methyl-[1,4]diazepan-1-yl)-1H-benzoimidazole ChEMBL
1-(2-ethoxyethyl)-2-(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)benzimidazole ChemIDplus
1-[2-(ethoxy)ethyl]-2-(4-methyl-1-homopiperazinyl)benzimidazole ChEBI
EMEDASTINE ChEMBL
Emedastine KEGG COMPOUND
Manual Xrefs Databases
999 DrugCentral
C07785 KEGG COMPOUND
D07890 KEGG DRUG
DB01084 DrugBank
Emedastine Wikipedia
LSM-5331 LINCS
US4430343 Patent
View more database links
Registry Numbers Types Sources
6068161 Beilstein Registry Number Beilstein
87233-61-2 CAS Registry Number KEGG COMPOUND
87233-61-2 CAS Registry Number ChemIDplus
Last Modified
22 February 2017