CHEBI:59865 - emedastine difumarate

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ChEBI Name emedastine difumarate
ChEBI ID CHEBI:59865
Definition The fumaric acid salt of emedastine containing two molecules of fumaric acid for each molecule of emedastine. A relatively selective histamine H1 antagonist, it is used 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.
Supplier Information
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Formula C25H34N4O9
Net Charge 0
Average Mass 534.55890
Monoisotopic Mass 534.23258
InChI InChI=1S/C17H26N4O.2C4H4O4/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;2*5-3(6)1-2-4(7)8/h4-5,7-8H,3,6,9-14H2,1-2H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-
InChIKey FWLKKPKZQYVAFR-SPIKMXEPSA-N
SMILES OC(=O)\C=C/C(O)=O.OC(=O)\C=C/C(O)=O.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).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing emedastine difumarate (CHEBI:59865) has part emedastine (CHEBI:4779)
emedastine difumarate (CHEBI:59865) has role anti-allergic agent (CHEBI:50857)
emedastine difumarate (CHEBI:59865) has role antipruritic drug (CHEBI:59683)
emedastine difumarate (CHEBI:59865) has role H1-receptor antagonist (CHEBI:37955)
emedastine difumarate (CHEBI:59865) is a fumarate salt (CHEBI:50921)
IUPAC Name
1-(2-ethoxyethyl)-2-(4-methyl-1,4-diazepan-1-yl)-1H-benzimidazole bis[(2Z)-but-2-enedioate]
INN Source
emedastine fumarate ChEBI
Synonyms Sources
1-(2-ethoxyethyl)-2-(4-methyl-1-homopiperazinyl)benzimidazole difumarate ChemIDplus
1-(2-ethoxyethyl)-2-(4-methylhexahydro-1H-1,4-diazepin-1-yl)benzimidazole fumarate (1:2) ChemIDplus
1-(2-ethoxyethyl)-2-(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)benzimidazole fumarate (1:2) ChemIDplus
Manual Xrefs Databases
D02249 KEGG DRUG
DB01084 DrugBank
View more database links
Registry Numbers Types Sources
6049907 Beilstein Registry Number Beilstein
87233-62-3 CAS Registry Number ChemIDplus
Last Modified
26 July 2010