1.0 2016-09-30 23:03:00 UTC 2020-04-22 15:11:47 UTC BMDB0003166 BMDB03166 16b-Hydroxystanozolol 16-Hydroxystanozolol 16-Hydroxystanozolol, (5alpha,16alpha,17alpha)-isomer 16-Hydroxystanozolol, (5alpha,16alpha,17beta)-isomer (5a,16b,17b)-17-Methyl-'h-androst-2-eno[3,2-c]pyrazole-16,17-diol 16b-OH-Stanozolol 16beta-Hydroxystanozolol Cyclopenta[7,8]phenanthro[2,3-c]pyrazole, 2'H-androst-2-eno[3,2-c]pyrazole-16,17-diol deriv. C21H32N2O2 344.491 344.246378278 (1S,2S,10S,13R,14S,16S,17R,18S)-2,17,18-trimethyl-6,7-diazapentacyclo[11.7.0.0²,¹⁰.0⁴,⁸.0¹⁴,¹⁸]icosa-4(8),5-diene-16,17-diol (1S,2S,10S,13R,14S,16S,17R,18S)-2,17,18-trimethyl-6,7-diazapentacyclo[11.7.0.0²,¹⁰.0⁴,⁸.0¹⁴,¹⁸]icosa-4(8),5-diene-16,17-diol 125590-76-3 [H][C@@]12C[C@H](O)[C@](C)(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC3=C(C[C@]12C)C=NN3 InChI=1S/C21H32N2O2/c1-19-10-12-11-22-23-17(12)8-13(19)4-5-14-15(19)6-7-20(2)16(14)9-18(24)21(20,3)25/h11,13-16,18,24-25H,4-10H2,1-3H3,(H,22,23)/t13-,14+,15-,16-,18-,19-,20-,21-/m0/s1 IZGBPAAEPVNBGA-BWPSUJIGSA-N belongs to the class of organic compounds known as estrane steroids. These are steroids with a structure based on the estrane skeleton. Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Estrane steroids Estrane steroids 1,2-diols 16-beta-hydroxysteroids 17-hydroxysteroids Azacyclic compounds Cyclic alcohols and derivatives Heteroaromatic compounds Hydrocarbon derivatives Organonitrogen compounds Organopnictogen compounds Pyrazoles Secondary alcohols Tertiary alcohols 1,2-diol 16-beta-hydroxysteroid 16-hydroxysteroid 17-hydroxysteroid Alcohol Aromatic heteropolycyclic compound Azacycle Azole Cyclic alcohol Estrane-skeleton Heteroaromatic compound Hydrocarbon derivative Hydroxysteroid Organic nitrogen compound Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Pyrazole Secondary alcohol Tertiary alcohol Aromatic heteropolycyclic compounds Solid logp 2.801 logp 3.14 ALOGPS logs -4.20 ALOGPS logp 2.62 ChemAxon pka_strongest_acidic 13.49 ChemAxon pka_strongest_basic 2.42 ChemAxon iupac (1S,2S,10S,13R,14S,16S,17R,18S)-2,17,18-trimethyl-6,7-diazapentacyclo[11.7.0.0²,¹⁰.0⁴,⁸.0¹⁴,¹⁸]icosa-4(8),5-diene-16,17-diol ChemAxon average_mass 344.491 ChemAxon mono_mass 344.246378278 ChemAxon smiles [H][C@@]12C[C@H](O)[C@](C)(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC3=C(C[C@]12C)C=NN3 ChemAxon formula C21H32N2O2 ChemAxon inchi InChI=1S/C21H32N2O2/c1-19-10-12-11-22-23-17(12)8-13(19)4-5-14-15(19)6-7-20(2)16(14)9-18(24)21(20,3)25/h11,13-16,18,24-25H,4-10H2,1-3H3,(H,22,23)/t13-,14+,15-,16-,18-,19-,20-,21-/m0/s1 ChemAxon inchikey IZGBPAAEPVNBGA-BWPSUJIGSA-N ChemAxon polar_surface_area 69.14 ChemAxon refractivity 98.61 ChemAxon polarizability 40.12 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 3 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 5 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 15935 Specdb::CMs 38537 Specdb::CMs 166944 Specdb::MsMs 301291 Specdb::MsMs 301292 Specdb::MsMs 301293 Specdb::MsMs 343777 Specdb::MsMs 343778 Specdb::MsMs 343779 Specdb::MsMs 2444083 Specdb::MsMs 2444084 Specdb::MsMs 2444085 Specdb::MsMs 2522364 Specdb::MsMs 2522365 Specdb::MsMs 2522366 30776558 14299609 FDB023118 166767