Ethoheptazine
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Ethoheptazine
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Ethoheptazine
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Data
InChI: InChI=1S/C16H23NO2/c1-3-19-15(18)16(14-8-5-4-6-9-14)10-7-12-17(2)13-11-16/h4-6,8-9H,3,7,10-13H2,1-2H3
Synonymes: Ethyl 1-methyl-4-phenylazepane-4-carboxylate,Ethyl heptazine,Etoheptazina [INN-Spanish],ETHOHEPTAZINE [MI],CHEMBL170797,4-22-00-01044 (Beilstein Handbook Reference),UNII-3A4G3A848U,EN300-18562833,ETHOHEPTAZINE [VANDF],Aethoheptazin,ethyl 1-methyl-4-phenylazepane-4-carboxylate,SCHEMBL24581,ETHOHEPTAZINE [WHO-DD],3A4G3A848U,Azepine-4-carboxylic acid, hexahydro-1-methyl-4-phenyl-, ethyl ester,Etoheptazina,1-Methyl-4-carbethoxy-4-phenylhexamethylenimine,EINECS 201-007-3,Q5404408,Hexahydro-1-methyl-4-phenyl-4-azepinecarboxylic acid ethyl ester,Ethoheptazinum,Ethoheptazinum [INN-Latin],BRN 0088192,ETHOHEPTAZINE,Ethoheptazine [INN:BAN],77-15-6,4-Carbethoxy-1-methyl-4-phenylazacycloheptane,Ethyl 1-methyl-4-phenyl-4-azepanecarboxylate #,CHEBI:135074,DB08988,4-Carbethoxy-1-methyl-4-phenylhexamethylenimine,Ethoheptazine,NCGC00183870-01,1H-Azepine-4-carboxylic acid, hexahydro-1-methyl-4-phenyl-, ethyl ester,Zactane,Ethyl hexahydro-1-methyl-4-phenyl-azepine-4-carboxylate,ETHOHEPTAZINE [INN],WY 401,Aethoheptazin;Ethyl heptazine;Wy 401,ETHOHEPTAZINE [HSDB],AKOS016010413,DTXSID7023017,Ethyl hexahydro-1-methyl-4-phenyl-1H-azepine-4-carboxylate,4-ETHOXYCARBONYL-1-METHYL-4-PHENYL-HEXAHYDRO-1H-AZEPINE,1-Methyl-4-carbethoxy-4-phenylhexamethyleneimine,HSDB 3326
Estimated data
Solubility: -2.558 (log(S) in mol/L prediction using SolTranNet)
Blood Brain Barrier Permeability: Yes (prediction using frontiersin.org)
Addictivity Prediction: 71.8% (prediction based on www.mdpi.com)
