1.0 2016-05-22 03:39:30 UTC 2026-08-21 22:36:32 UTC Danazol SmallMolecule Danazol is an organic compound with the formula C22H27NO2 and an average molecular weight of 337.46 g/mol. Danazol belongs to the estrane steroids, a subclass of steroids and steroid derivatives within the organic compounds. This substance has been identified in ten recorded sources. Within healthcare, pharmaceuticals, and veterinary products, it is associated with sex hormones and modulators of the genital system. It is also found in household cleaning and consumer products, specifically tobacco smoke filters and non-electric simulated smoking devices. Other recorded sources include indoor air, processing meats, and various electrical and electronic equipment, such as television systems, fixed capacitors and their manufacture, electrically stimulated smoking devices, electric switches, and antennas. Exposure to the compound occurs through oral and inhalation routes. Danazol interacts with six recorded protein targets. It acts as an agonist, inhibitor, or negative modulator of the estrogen receptor (ESR1), the gonadotropin-releasing hormone receptor (GNRHR), and the putative gonadotropin-releasing hormone II receptor (GNRHR2). Additionally, it targets C-C motif chemokine 2 (CCL2) and two other proteins. Human Neurotoxin (1S,2R,13R,14S,17R,18S)-17-ethynyl-2,18-dimethyl-7-oxa-6-azapentacyclo[11.7.0.0²,¹⁰.0⁴,⁸.0¹⁴,¹⁸]icosa-4(8),5,9-trien-17-ol 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 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 Detected and Not Quantified Danazol Drug Metabolism Action Pathway SMP0143748 logp 3.46 logp 3.62 ALOGPS logs -4.28 ALOGPS solubility 1.76e-02 g/l 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 #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7222163a28> DB01406 28417 26436 BE0000123 BE0000203 BE0000472 BE0001047 BE0000132 BE0000557