1.0 2016-09-30 23:19:31 UTC 2020-04-22 15:16:38 UTC BMDB0006001 BMDB06001 3'-Hydroxystanozolol 17alpha-Methyl-17beta-hydroxy-5alpha-androstano(3,2-c)pyrazole 3'-Hydroxystanazolol (5 ,17 )-1',2'-dihydro-17-Hydroxy-17-methyl-5'H-androst-2-eno[3,2-c]pyrazol-5'-one 3'-Hydroxystanozolol C21H32N2O2 344.491 344.246378278 (1S,2S,10S,13R,14S,17S,18S)-17-hydroxy-2,17,18-trimethyl-6,7-diazapentacyclo[11.7.0.0²,¹⁰.0⁴,⁸.0¹⁴,¹⁸]icos-4(8)-en-5-one (1S,2S,10S,13R,14S,17S,18S)-17-hydroxy-2,17,18-trimethyl-6,7-diazapentacyclo[11.7.0.0²,¹⁰.0⁴,⁸.0¹⁴,¹⁸]icos-4(8)-en-5-one 125709-39-9 [H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC3=C(C[C@]12C)C(=O)NN3 InChI=1S/C21H32N2O2/c1-19-11-14-17(22-23-18(14)24)10-12(19)4-5-13-15(19)6-8-20(2)16(13)7-9-21(20,3)25/h12-13,15-16,25H,4-11H2,1-3H3,(H2,22,23,24)/t12-,13+,15-,16-,19-,20-,21-/m0/s1 SWPAIUOYLTYQKK-YEZTZDHTSA-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 Lactams Organic oxides Organonitrogen compounds Organopnictogen compounds Pyrazoles Pyrazolones Tertiary alcohols Vinylogous amides 17-hydroxysteroid Alcohol Aromatic heteropolycyclic compound Azacycle Azole Cyclic alcohol Estrane-skeleton Heteroaromatic compound Hydrocarbon derivative Hydroxysteroid Lactam Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Pyrazole Pyrazolinone Tertiary alcohol Vinylogous amide Aromatic heteropolycyclic compounds Solid logp 2.30 ALOGPS logs -4.82 ALOGPS logp 2.5 ChemAxon pka_strongest_acidic 11.51 ChemAxon pka_strongest_basic 2.33 ChemAxon iupac (1S,2S,10S,13R,14S,17S,18S)-17-hydroxy-2,17,18-trimethyl-6,7-diazapentacyclo[11.7.0.0²,¹⁰.0⁴,⁸.0¹⁴,¹⁸]icos-4(8)-en-5-one 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])CC3=C(C[C@]12C)C(=O)NN3 ChemAxon formula C21H32N2O2 ChemAxon inchi InChI=1S/C21H32N2O2/c1-19-11-14-17(22-23-18(14)24)10-12(19)4-5-13-15(19)6-8-20(2)16(13)7-9-21(20,3)25/h12-13,15-16,25H,4-11H2,1-3H3,(H2,22,23,24)/t12-,13+,15-,16-,19-,20-,21-/m0/s1 ChemAxon inchikey SWPAIUOYLTYQKK-YEZTZDHTSA-N ChemAxon polar_surface_area 61.36 ChemAxon refractivity 109.13 ChemAxon polarizability 40.07 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 10966 Specdb::CMs 38927 Specdb::CMs 146107 Specdb::MsMs 290143 Specdb::MsMs 290144 Specdb::MsMs 290145 Specdb::MsMs 329770 Specdb::MsMs 329771 Specdb::MsMs 329772 Specdb::MsMs 2807507 Specdb::MsMs 2807508 Specdb::MsMs 2807509 Specdb::MsMs 2897379 Specdb::MsMs 2897380 Specdb::MsMs 2897381 30776569 14299601 FDB023797