1.0 2016-09-30 23:03:33 UTC 2020-04-22 15:11:58 UTC BMDB0003318 BMDB03318 4b-Hydroxystanozolol (4b,5a,17b)-17-Methyl-2'H-androst-2-eno[3,2-c]pyrazole-4,17-diol 4b-OH-Stanozolol 4beta-Hydroxystanozolol Cyclopenta[7,8]phenanthro[2,3-c]pyrazole 2'H-androst-2-eno[3,2-c]pyrazole-4,17-diol deriv. C21H32N2O2 344.491 344.246378278 (1S,2R,9R,10R,13R,14S,17S,18S)-2,17,18-trimethyl-6,7-diazapentacyclo[11.7.0.0²,¹⁰.0⁴,⁸.0¹⁴,¹⁸]icosa-4(8),5-diene-9,17-diol (1S,2R,9R,10R,13R,14S,17S,18S)-2,17,18-trimethyl-6,7-diazapentacyclo[11.7.0.0²,¹⁰.0⁴,⁸.0¹⁴,¹⁸]icosa-4(8),5-diene-9,17-diol 125636-92-2 [H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])[C@@H](O)C3=C(C[C@]12C)C=NN3 InChI=1S/C21H32N2O2/c1-19-10-12-11-22-23-17(12)18(24)16(19)5-4-13-14(19)6-8-20(2)15(13)7-9-21(20,3)25/h11,13-16,18,24-25H,4-10H2,1-3H3,(H,22,23)/t13-,14+,15+,16+,18-,19-,20+,21+/m1/s1 OCUSYXNRARMJHS-SUVJOWDWSA-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 17-hydroxysteroids Azacyclic compounds Cyclic alcohols and derivatives Heteroaromatic compounds Hydrocarbon derivatives Organonitrogen compounds Organopnictogen compounds Pyrazoles Secondary alcohols Tertiary alcohols 17-hydroxysteroid 4-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 2.93 ALOGPS logs -4.23 ALOGPS logp 2.7 ChemAxon pka_strongest_acidic 13.75 ChemAxon pka_strongest_basic 1.89 ChemAxon iupac (1S,2R,9R,10R,13R,14S,17S,18S)-2,17,18-trimethyl-6,7-diazapentacyclo[11.7.0.0²,¹⁰.0⁴,⁸.0¹⁴,¹⁸]icosa-4(8),5-diene-9,17-diol ChemAxon average_mass 344.491 ChemAxon mono_mass 344.246378278 ChemAxon smiles [H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])[C@@H](O)C3=C(C[C@]12C)C=NN3 ChemAxon formula C21H32N2O2 ChemAxon inchi InChI=1S/C21H32N2O2/c1-19-10-12-11-22-23-17(12)18(24)16(19)5-4-13-14(19)6-8-20(2)15(13)7-9-21(20,3)25/h11,13-16,18,24-25H,4-10H2,1-3H3,(H,22,23)/t13-,14+,15+,16+,18-,19-,20+,21+/m1/s1 ChemAxon inchikey OCUSYXNRARMJHS-SUVJOWDWSA-N ChemAxon polar_surface_area 69.14 ChemAxon refractivity 98.54 ChemAxon polarizability 40.06 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 25215 Specdb::CMs 38566 Specdb::CMs 134932 Specdb::CMs 142666 Specdb::MsMs 321874 Specdb::MsMs 321875 Specdb::MsMs 321876 Specdb::MsMs 369610 Specdb::MsMs 369611 Specdb::MsMs 369612 Specdb::MsMs 2742970 Specdb::MsMs 2742971 Specdb::MsMs 2742972 Specdb::MsMs 2935259 Specdb::MsMs 2935260 Specdb::MsMs 2935261 30776560 53477768 FDB023137