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emedastine

Properties

Image

Occurences in reactions

MNX_ID

MNXM52002

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₁₇H₂₆N₄O

charge

mass

302.21066

reference

InChIKey

KBUZBQVCBVDWKX-UHFFFAOYSA-N

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

SMILES

CCOCCn1c(N2CCCN(C)CC2)nc2ccccc21

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:4779 chebi:4779	emedastine 1-(2-Ethoxy-ethyl)-2-(4-methyl-[1,4]diazepan-1-yl)-1H-benzoimidazole 1-(2-ethoxyethyl)-2-(4-methyl-1,4-diazepan-1-yl)-1H-benzimidazole 1-(2-ethoxyethyl)-2-(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)benzimidazole 1-[2-(ethoxy)ethyl]-2-(4-methyl-1-homopiperazinyl)benzimidazole EMEDASTINE Emedastine emedastina emedastinum
seed.compound:cpd04895 seedM:cpd04895 kegg.compound:C07785 keggC:C07785	Emedastine
kegg.drug:D07890 keggD:D07890	Emedastine (INN) Emadine (TN)
hmdb:HMDB0015216	Emedastine 1-(2-Ethoxy-ethyl)-2-(4-methyl-[1,4]diazepan-1-yl)-1H-benzoimidazole 1-(2-Ethoxyethyl)-2-(4-methyl-1-homopiperazinyl)benzimidazole difumarate 1-(2-Ethoxyethyl)-2-(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)benzimidazole 1-(2-ethoxyethyl)-2-(4-methyl-1,4-diazepan-1-yl)-1H-1,3-benzodiazole 1-[2-(Ethoxy)ethyl]-2-(4-methyl-1-homopiperazinyl)benzimidazole Emadine Emedastina Emedastine difumarate Emedastinum emedastine
hmdb:HMDB15216 chebi:119712 keggC:M_C07785 keggD:M_D07890 seedM:M_cpd04895	secondary/obsolete/fantasy identifier