1.0 2016-05-22 05:56:49 UTC 2026-05-14 16:25:14 UTC Etonogestrel SmallMolecule Etonogestrel is an organic compound with the formula C22H28O2 and an average molecular weight of 324.46 g/mol. Etonogestrel belongs to the estrane steroids, a subclass of steroids and steroid derivatives within the organic compounds. It acts as an agonist of the Progesterone receptor (PGR). In terms of application, the compound is used in healthcare, pharmaceuticals, and veterinary products as a hormonal contraceptive for systemic use. Recorded exposure routes include subcutaneous and vaginal administration. Additionally, etonogestrel is used in plastics, specifically in Low-Density Polyethylene, High-Density Polyethylene, and Polyamide. C22H28O2 324.4565 324.20893014 (1S,2R,10S,11S,14R,15S)-15-ethyl-14-ethynyl-14-hydroxy-17-methylidenetetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-en-5-one implanon 54048-10-1 [H][C@@]12CC[C@@](O)(C#C)[C@@]1(CC)CC(=C)[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H] InChI=1S/C22H28O2/c1-4-21-13-14(3)20-17-9-7-16(23)12-15(17)6-8-18(20)19(21)10-11-22(21,24)5-2/h2,12,17-20,24H,3-4,6-11,13H2,1H3/t17-,18-,19-,20+,21-,22-/m0/s1 GCKFUYQCUCGESZ-BPIQYHPVSA-N Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Estrane steroids Estrogens and derivatives 17-hydroxysteroids 3-oxo delta-4-steroids Acetylides Cyclic alcohols and derivatives Cyclohexenones Delta-4-steroids Hydrocarbon derivatives Organic oxides Tertiary alcohols Ynones 17-hydroxysteroid 3-oxo-delta-4-steroid 3-oxosteroid Acetylide Alcohol Aliphatic homopolycyclic compound Carbonyl group Cyclic alcohol Cyclic ketone Cyclohexenone Delta-4-steroid Estrogen-skeleton Hydrocarbon derivative Hydroxysteroid Ketone Organic oxide Organic oxygen compound Organooxygen compound Oxosteroid Tertiary alcohol Ynone Aliphatic homopolycyclic compounds 17beta-hydroxy steroid 3-oxo Delta(4)-steroid 3-oxo steroid terminal acetylenic compound Detected and Not Quantified Etonogestrel Action Pathway SMP0126525 Etonogestrel Drug Metabolism Action Pathway SMP0142754 Etonogestrel Predicted Metabolism Pathway SMP0174579 logp 3.6 logp 3.19 ALOGPS logs -4.64 ALOGPS solubility 7.37e-03 g/l ALOGPS logp 3.6 ChemAxon pka_strongest_acidic 17.99 ChemAxon pka_strongest_basic -1.5 ChemAxon iupac (1S,2R,10S,11S,14R,15S)-15-ethyl-14-ethynyl-14-hydroxy-17-methylidenetetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-en-5-one ChemAxon average_mass 324.4565 ChemAxon mono_mass 324.20893014 ChemAxon smiles [H][C@@]12CC[C@@](O)(C#C)[C@@]1(CC)CC(=C)[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H] ChemAxon formula C22H28O2 ChemAxon inchi InChI=1S/C22H28O2/c1-4-21-13-14(3)20-17-9-7-16(23)12-15(17)6-8-18(20)19(21)10-11-22(21,24)5-2/h2,12,17-20,24H,3-4,6-11,13H2,1H3/t17-,18-,19-,20+,21-,22-/m0/s1 ChemAxon inchikey GCKFUYQCUCGESZ-BPIQYHPVSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 96.35 ChemAxon polarizability 37.77 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f3bb3b6cf88> DB00294 40976 37403 BE0000557