1.0 2016-05-22 06:17:09 UTC 2026-05-14 19:05:43 UTC dl-Norgestrel SmallMolecule dl-Norgestrel is an organic compound with the formula C21H28O2 and an average molecular weight of 312.45 g/mol. dl-Norgestrel belongs to the estrane steroids, a subclass of steroids and steroid derivatives within the organic compounds. It is categorized under the superclass of lipids and lipid-like molecules. This compound is found in healthcare, pharmaceuticals, and veterinary products, specifically within progestogens and estrogens in combination and hormonal contraceptives for systemic use. The recorded route of exposure for this substance is oral. dl-Norgestrel interacts with three protein targets, acting as an agonist or inhibitor of the progesterone receptor (PGR), the androgen receptor (AR), and 3-oxo-5-alpha-steroid 4-dehydrogenase 1 (SRD5A1). (1S,2R,10R,11S,15S)-15-ethyl-14-ethynyl-14-hydroxytetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-en-5-one C21H28O2 312.453 312.208930142 (1S,2R,10R,11S,14R,15S)-15-ethyl-14-ethynyl-14-hydroxytetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-en-5-one plan b 6533-00-2 [H][C@@]12CCC(O)(C#C)[C@@]1(CC)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H] InChI=1S/C21H28O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,13,16-19,23H,3,5-12H2,1H3/t16-,17+,18+,19-,20-,21?/m0/s1 WWYNJERNGUHSAO-CULCCENASA-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 Detected and Not Quantified logp 3.66 logp 3.25 ALOGPS logs -4.73 ALOGPS solubility 5.83e-03 g/l ALOGPS logp 3.66 ChemAxon pka_strongest_acidic 17.91 ChemAxon pka_strongest_basic -1.5 ChemAxon iupac (1S,2R,10R,11S,14R,15S)-15-ethyl-14-ethynyl-14-hydroxytetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-en-5-one ChemAxon average_mass 312.453 ChemAxon mono_mass 312.208930142 ChemAxon smiles [H][C@@]12CCC(O)(C#C)[C@@]1(CC)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H] ChemAxon formula C21H28O2 ChemAxon inchi InChI=1S/C21H28O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,13,16-19,23H,3,5-12H2,1H3/t16-,17+,18+,19-,20-,21?/m0/s1 ChemAxon inchikey WWYNJERNGUHSAO-CULCCENASA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 92.03 ChemAxon polarizability 36.74 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:0x00007f7226c82b30> DB09389 16051930 BE0000557 BE0000539 BE0000132