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CHEBI:4779 - emedastine

Default Structure
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:
anti-allergic agent  A drug used to treat allergic reactions.
antipruritic drug  A drug, usually applied topically, that relieves pruritus (itching).
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.
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
emedastinaChemIDplus
emedastineChemIDplus
emedastinumChemIDplus
Synonyms  Source
1-(2-Ethoxy-ethyl)-2-(4-methyl-[1,4]diazepan-1-yl)-1H-benzoimidazoleChEMBL
1-[2-(ethoxy)ethyl]-2-(4-methyl-1-homopiperazinyl)benzimidazoleChEBI
1-(2-ethoxyethyl)-2-(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)benzimidazoleChemIDplus
EmedastineKEGG COMPOUND
EMEDASTINEChEMBL
Manual XrefsDatabases
999DrugCentral
C07785KEGG COMPOUND
D07890KEGG DRUG
DB01084DrugBank
EmedastineWikipedia
LSM-5331LINCS
US4430343Patent
Registry NumbersSources
Beilstein:6068161Beilstein
CAS:87233-61-2KEGG COMPOUND
CAS:87233-61-2ChemIDplus