1.0 2016-09-30 23:01:50 UTC 2020-04-22 15:11:27 UTC BMDB0002835 BMDB02835 Danazol Cyclomen Danazolum Danocrine (17a)-Pregna-2,4-dien-20-yno[2,3-D]isoxazol-17-ol 1-Ethynyl-2,3,3a,3b,4,5,10,10a,10b,11,12,12a-dodecahydro-10a,12a-dimethyl-1H-cyclopenta[7,8]phenanthro[3,2-D]isoxazol-1-ol 17 alpha-Pregna-2,4-dien-20-yno[2,3-D] isoxazol-17 beta-ol 17a-Pregna-2,4-dien-20-yne-[2,3-D]isoxazole-17b-ol 17a-Pregna-2,4-dien-20-yno[2,3-D]isoxazol-17-ol 1H-Cyclopenta[7,8]phenanthro[3,2-D]isoxazole- pregna-2,4-dien-20-yno[2,3-D]isoxazol-17-ol deriv. Bonzol Chronogyn Danol Danovaol Danzol Ladogal Winobanin Alphapharm brand OF danazol Kendrick brand OF danazol Sanofi brand OF danazol Danatrol Danazant Danazol-ratiopharm Danoval Ratiopharm brand OF danazol Antigen brand OF danazol Azol Norciden Panacrine Sanofi synthelabo brand OF danazol Sanofi winthrop brand OF danazol Danazol ratiopharm C22H27NO2 337.4553 337.204179113 (1S,2R,13R,14S,17R,18S)-17-ethynyl-2,18-dimethyl-7-oxa-6-azapentacyclo[11.7.0.0^{2,10}.0^{4,8}.0^{14,18}]icosa-4(8),5,9-trien-17-ol (1S,2R,13R,14S,17R,18S)-17-ethynyl-2,18-dimethyl-7-oxa-6-azapentacyclo[11.7.0.0^{2,10}.0^{4,8}.0^{14,18}]icosa-4(8),5,9-trien-17-ol 17230-88-5 [H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC3=C(C[C@]12C)C=NO3 InChI=1S/C22H27NO2/c1-4-22(24)10-8-18-16-6-5-15-11-19-14(13-23-25-19)12-20(15,2)17(16)7-9-21(18,22)3/h1,11,13,16-18,24H,5-10,12H2,2-3H3/t16-,17+,18+,20+,21+,22+/m1/s1 POZRVZJJTULAOH-LHZXLZLDSA-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 Acetylides Azacyclic compounds Cyclic alcohols and derivatives Heteroaromatic compounds Hydrocarbon derivatives Isoxazoles Organonitrogen compounds Organopnictogen compounds Oxacyclic compounds Tertiary alcohols Ynones 17-hydroxysteroid Acetylide Alcohol Aromatic heteropolycyclic compound Azacycle Azole Cyclic alcohol Estrane-skeleton Heteroaromatic compound Hydrocarbon derivative Hydroxysteroid Isoxazole Organic nitrogen compound Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Tertiary alcohol Ynone Aromatic heteropolycyclic compounds 17beta-hydroxy steroid terminal acetylenic compound Solid melting_point 225.6 °C logp 4.081 logp 3.62 ALOGPS logs -4.28 ALOGPS logp 3.46 ChemAxon pka_strongest_acidic 17.59 ChemAxon pka_strongest_basic 0.25 ChemAxon iupac (1S,2R,13R,14S,17R,18S)-17-ethynyl-2,18-dimethyl-7-oxa-6-azapentacyclo[11.7.0.0^{2,10}.0^{4,8}.0^{14,18}]icosa-4(8),5,9-trien-17-ol ChemAxon average_mass 337.4553 ChemAxon mono_mass 337.204179113 ChemAxon smiles [H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC3=C(C[C@]12C)C=NO3 ChemAxon formula C22H27NO2 ChemAxon inchi InChI=1S/C22H27NO2/c1-4-22(24)10-8-18-16-6-5-15-11-19-14(13-23-25-19)12-20(15,2)17(16)7-9-21(18,22)3/h1,11,13,16-18,24H,5-10,12H2,2-3H3/t16-,17+,18+,20+,21+,22+/m1/s1 ChemAxon inchikey POZRVZJJTULAOH-LHZXLZLDSA-N ChemAxon polar_surface_area 46.26 ChemAxon refractivity 98.54 ChemAxon polarizability 38.44 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 2 ChemAxon donor_count 1 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::NmrTwoD 1843 Specdb::NmrOneD 1908 Specdb::CMs 10837 Specdb::CMs 38485 Specdb::CMs 157250 Specdb::MsMs 2146 Specdb::MsMs 2147 Specdb::MsMs 2148 Specdb::MsMs 260619 Specdb::MsMs 260620 Specdb::MsMs 260621 Specdb::MsMs 280554 Specdb::MsMs 280555 Specdb::MsMs 280556 Specdb::MsMs 450508 Specdb::MsMs 451669 Specdb::MsMs 2236702 Specdb::MsMs 2238745 Specdb::MsMs 2238832 Specdb::MsMs 2240375 Specdb::MsMs 2240750 Specdb::MsMs 2240958 Specdb::MsMs 2242850 Specdb::MsMs 2242979 Specdb::MsMs 2249158 Specdb::MsMs 2807489 Specdb::MsMs 2807490 Specdb::MsMs 2807491 Specdb::MsMs 2898699 Specdb::MsMs 2898700 26436 28417 DB01406 FDB023073 4315 C06938 Danazol Raczkowska, Sabina; Lypacewicz, Maria K.; Chojecka-Koryn, Ewa; Jaworska, Romana; Wasiak, Teresa; Mozolowski, Felicjan; Wajcht, Jozef. Method of obtaining highly pure danazol. Pol. (1991), 3 pp.