1.0 2011-09-21 01:46:29 UTC 2025-11-19 02:56:15 UTC FDB028868 Emopamil Emopamil is a drug that is a competitive inhibitor of 3β-hydroxysteroid-Δ8-Δ7-isomerase. 3β-hydroxysteroid-Δ8-Δ7-isomerase is involved in the formation of cholesterol from lanosterol. Emopamil is a calcium channel blocker. [HMDB] (+-)Emopamil 2-Isopropyl-5-(methylphenethylamino)-2-phenylvaleronitrile Emopamil [inn] Emopamilo [spanish] Emopamilum [latin] Levemopamil C23H30N2 334.4977 334.24089897 5-[methyl(2-phenylethyl)amino]-2-phenyl-2-(propan-2-yl)pentanenitrile emopamil 78370-13-5 CC(C)C(CCCN(C)CCC1=CC=CC=C1)(C#N)C1=CC=CC=C1 InChI=1S/C23H30N2/c1-20(2)23(19-24,22-13-8-5-9-14-22)16-10-17-25(3)18-15-21-11-6-4-7-12-21/h4-9,11-14,20H,10,15-18H2,1-3H3 DWAWDSVKAUWFHC-UHFFFAOYSA-N belongs to the class of organic compounds known as phenylbutylamines. Phenylbutylamines are compounds containing a phenylbutylamine moiety, which consists of a phenyl group substituted at the fourth carbon by an butan-1-amine. Phenylbutylamines Organic compounds Benzenoids Benzene and substituted derivatives Phenylbutylamines Aromatic homomonocyclic compounds Aralkylamines Hydrocarbon derivatives Nitriles Organopnictogen compounds Phenethylamines Phenylpropanes Trialkylamines Amine Aralkylamine Aromatic homomonocyclic compound Carbonitrile Hydrocarbon derivative Nitrile Organic nitrogen compound Organonitrogen compound Organopnictogen compound Phenethylamine Phenylbutylamine Phenylpropane Tertiary aliphatic amine Tertiary amine benzenes organic amino compound Solid logp 5.41 ALOGPS logs -4.91 ALOGPS solubility 4.16e-03 g/l ALOGPS logp 5.67 ChemAxon pka_strongest_basic 9.76 ChemAxon iupac 5-[methyl(2-phenylethyl)amino]-2-phenyl-2-(propan-2-yl)pentanenitrile ChemAxon average_mass 334.4977 ChemAxon mono_mass 334.24089897 ChemAxon smiles CC(C)C(CCCN(C)CCC1=CC=CC=C1)(C#N)C1=CC=CC=C1 ChemAxon formula C23H30N2 ChemAxon inchi InChI=1S/C23H30N2/c1-20(2)23(19-24,22-13-8-5-9-14-22)16-10-17-25(3)18-15-21-11-6-4-7-12-21/h4-9,11-14,20H,10,15-18H2,1-3H3 ChemAxon inchikey DWAWDSVKAUWFHC-UHFFFAOYSA-N ChemAxon polar_surface_area 27.03 ChemAxon refractivity 106.8 ChemAxon polarizability 40.65 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 11916 Specdb::CMs 122454 Specdb::CMs 137726 Specdb::CMs 145460 Specdb::MsMs 292243 Specdb::MsMs 292244 Specdb::MsMs 292245 Specdb::MsMs 332389 Specdb::MsMs 332390 Specdb::MsMs 332391 Specdb::MsMs 2687684 Specdb::MsMs 2687685 Specdb::MsMs 2687686 Specdb::MsMs 2993819 Specdb::MsMs 2993820 Specdb::MsMs 2993821 HMDB12224 Anatidae Type 1 specific Anatidae 8830 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bison Type 1 specific Bison bison 9901 Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Chicken Type 1 specific Gallus gallus 9031 Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 specific Capra aegagrus hircus 9925 Domestic pig Type 1 specific Sus scrofa domestica 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus 9984 Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Ostrich Type 1 specific Struthio camelus 8801 Pheasant Type 1 specific Phasianus colchicus 9054 Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Rock ptarmigan Type 1 specific Lagopus muta 64668 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Squab Type 1 specific Columba 8931 Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Wild boar Type 1 specific Sus scrofa 9823