1.0 2016-09-30 22:40:05 UTC 2020-04-22 15:06:23 UTC BMDB0001028 BMDB01028 25-Azacholesterol (3beta)-24-(dimethylamino)-Chol-5-en-3-ol 24-(dimethylamino)Chol-5-en-3beta-ol 24-(dimethylamino)Chol-5-en-3 beta-ol C26H45NO 387.6416 387.350115067 (1S,2R,5S,10S,11S,14R,15R)-14-[(2R)-5-(dimethylamino)pentan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-5-ol 25-azacholesterol 1973-61-1 [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCN(C)C InChI=1S/C26H45NO/c1-18(7-6-16-27(4)5)22-10-11-23-21-9-8-19-17-20(28)12-14-25(19,2)24(21)13-15-26(22,23)3/h8,18,20-24,28H,6-7,9-17H2,1-5H3/t18-,20+,21+,22-,23+,24+,25+,26-/m1/s1 RZPPEFJMRVRCDD-XSLNCIIRSA-N belongs to the class of organic compounds known as 25-azasteroids and derivatives. These are azasteroids where the carbon atom at position 25 is replaced by a nitrogen atom. Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Azasteroids and derivatives 25-azasteroids and derivatives 3-beta-hydroxy delta-5-steroids 3-beta-hydroxysteroids Cyclic alcohols and derivatives Delta-5-steroids Hydrocarbon derivatives Organopnictogen compounds Secondary alcohols Trialkylamines 25-azasteroid 3-beta-hydroxy-delta-5-steroid 3-beta-hydroxysteroid 3-hydroxy-delta-5-steroid 3-hydroxysteroid Alcohol Aliphatic homopolycyclic compound Amine Cyclic alcohol Delta-5-steroid Hydrocarbon derivative Hydroxysteroid Organic nitrogen compound Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Secondary alcohol Tertiary aliphatic amine Tertiary amine Aliphatic homopolycyclic compounds Cholesterol and derivatives Solid logp 5.74 ALOGPS logs -6.26 ALOGPS logp 5.21 ChemAxon pka_strongest_acidic 18.2 ChemAxon pka_strongest_basic 9.79 ChemAxon iupac (1S,2R,5S,10S,11S,14R,15R)-14-[(2R)-5-(dimethylamino)pentan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-5-ol ChemAxon average_mass 387.6416 ChemAxon mono_mass 387.350115067 ChemAxon smiles [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCN(C)C ChemAxon formula C26H45NO ChemAxon inchi InChI=1S/C26H45NO/c1-18(7-6-16-27(4)5)22-10-11-23-21-9-8-19-17-20(28)12-14-25(19,2)24(21)13-15-26(22,23)3/h8,18,20-24,28H,6-7,9-17H2,1-5H3/t18-,20+,21+,22-,23+,24+,25+,26-/m1/s1 ChemAxon inchikey RZPPEFJMRVRCDD-XSLNCIIRSA-N ChemAxon polar_surface_area 23.47 ChemAxon refractivity 120.52 ChemAxon polarizability 50.04 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon number_of_rings 4 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 17192 Specdb::CMs 37897 Specdb::CMs 154552 Specdb::MsMs 304024 Specdb::MsMs 304025 Specdb::MsMs 304026 Specdb::MsMs 347128 Specdb::MsMs 347129 Specdb::MsMs 347130 Specdb::MsMs 2815210 Specdb::MsMs 2815211 Specdb::MsMs 2815212 Specdb::MsMs 2893145 Specdb::MsMs 2893146 Specdb::MsMs 2893147 144573 FDB022378 164906 5954