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CHEBI:4779 - emedastine

ChEBI IDCHEBI:4779
ChEBI Nameemedastine
Stars
Definition1-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.
Secondary ChEBI IDCHEBI:119712
Last Modified22 February 2017
DownloadsMolfile
FormulaC17H26N4O
Net Charge0
Average Mass302.422
Monoisotopic Mass302.21066
SMILESCCOCCn1c(N2CCCN(C)CC2)nc2ccccc21
InChIInChI=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
InChIKeyKBUZBQVCBVDWKX-UHFFFAOYSA-N
Wikipedia
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:
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).
anti-allergic agent  A drug used to treat allergic reactions.
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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  Source
emedastinumChemIDplus
emedastineChemIDplus
emedastinaChemIDplus
Synonyms  Source
EmedastineKEGG COMPOUND
1-(2-Ethoxy-ethyl)-2-(4-methyl-[1,4]diazepan-1-yl)-1H-benzoimidazoleChEMBL
EMEDASTINEChEMBL
1-(2-ethoxyethyl)-2-(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)benzimidazoleChemIDplus
1-[2-(ethoxy)ethyl]-2-(4-methyl-1-homopiperazinyl)benzimidazoleChEBI
Manual XrefsDatabases
C07785KEGG COMPOUND
D07890KEGG DRUG
US4430343Patent
EmedastineWikipedia
DB01084DrugBank
LSM-5331LINCS
999DrugCentral
Registry NumbersSources
Beilstein:6068161Beilstein
CAS:87233-61-2KEGG COMPOUND
CAS:87233-61-2ChemIDplus