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CHEBI:59865 - emedastine difumarate

ChEBI IDCHEBI:59865
ChEBI Nameemedastine difumarate
Stars
DefinitionThe 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.
Last Modified26 July 2010
SubmitterGareth Owen
DownloadsMolfile
FormulaC17H26N4O.2C4H4O4
Net Charge0
Average Mass534.566
Monoisotopic Mass534.23258
SMILESCCOCCn1c(N2CCCN(C)CC2)nc2ccccc21.O=C(O)/C=C\C(=O)O.O=C(O)/C=C\C(=O)O
InChIInChI=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-
InChIKeyFWLKKPKZQYVAFR-SPIKMXEPSA-N
Roles Classification
Biological Role:
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.
Applications:
anti-allergic agent  A drug used to treat allergic reactions.
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.
antipruritic drug  A drug, usually applied topically, that relieves pruritus (itching).
ChEBI Ontology
Outgoing Relation(s)
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 fumarateChEBI
Synonyms  Source
1-(2-ethoxyethyl)-2-(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)benzimidazole fumarate (1:2)ChemIDplus
1-(2-ethoxyethyl)-2-(4-methyl-1-homopiperazinyl)benzimidazole difumarateChemIDplus
1-(2-ethoxyethyl)-2-(4-methylhexahydro-1H-1,4-diazepin-1-yl)benzimidazole fumarate (1:2)ChemIDplus
Manual XrefsDatabases
D02249KEGG DRUG
DB01084DrugBank
Registry NumbersSources
Beilstein:6049907Beilstein
CAS:87233-62-3ChemIDplus