1.0 2016-05-22 06:02:46 UTC 2026-08-22 01:41:52 UTC Norgestimate SmallMolecule Norgestimate is an organic compound with the formula C23H31NO3 and an average molecular weight of 369.50 g/mol. Norgestimate belongs to the steroid esters, a subclass of steroids and steroid derivatives within the organic compounds. This compound is found in or released from healthcare, pharmaceuticals, and veterinary products, specifically progestogens and estrogens in combination and hormonal contraceptives for systemic use. The recorded route of exposure for this substance is oral. Regarding its biological activity, norgestimate acts as an agonist or partial agonist of three protein targets: the progesterone receptor (PGR), the estrogen receptor (ESR1), and the androgen receptor (AR). C23H31NO3 369.4971 369.230393863 (1S,2R,5E,10R,11S,14R,15S)-15-ethyl-14-ethynyl-5-(hydroxyimino)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-en-14-yl acetate norgestimate 35189-28-7 [H][C@@]12CC[C@@](OC(C)=O)(C#C)[C@@]1(CC)CC[C@]1([H])[C@@]3([H])CC\C(C=C3CC[C@@]21[H])=N/O InChI=1S/C23H31NO3/c1-4-22-12-10-19-18-9-7-17(24-26)14-16(18)6-8-20(19)21(22)11-13-23(22,5-2)27-15(3)25/h2,14,18-21,26H,4,6-13H2,1,3H3/b24-17+/t18-,19+,20+,21-,22-,23-/m0/s1 KIQQMECNKUGGKA-NMYWJIRASA-N Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Steroid esters Steroid esters Acetylides Carboxylic acid esters Delta-4-steroids Estrane steroids Hydrocarbon derivatives Ketoximes Monocarboxylic acids and derivatives Organic oxides Organopnictogen compounds Ynones Acetylide Aliphatic homopolycyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Delta-4-steroid Estrane-skeleton Hydrocarbon derivative Ketoxime Monocarboxylic acid or derivatives Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxime Steroid ester Ynone Aliphatic homopolycyclic compounds ketoxime steroid ester terminal acetylenic compound Detected and Not Quantified Norgestimate Drug Metabolism Action Pathway SMP0143387 logp 4.11 logp 3.80 ALOGPS logs -4.84 ALOGPS solubility 5.31e-03 g/l ALOGPS logp 4.11 ChemAxon pka_strongest_acidic 11.47 ChemAxon pka_strongest_basic 3.11 ChemAxon iupac (1S,2R,5E,10R,11S,14R,15S)-15-ethyl-14-ethynyl-5-(hydroxyimino)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-en-14-yl acetate ChemAxon average_mass 369.4971 ChemAxon mono_mass 369.230393863 ChemAxon smiles [H][C@@]12CC[C@@](OC(C)=O)(C#C)[C@@]1(CC)CC[C@]1([H])[C@@]3([H])CC\C(C=C3CC[C@@]21[H])=N/O ChemAxon formula C23H31NO3 ChemAxon inchi InChI=1S/C23H31NO3/c1-4-22-12-10-19-18-9-7-17(24-26)14-16(18)6-8-20(19)21(22)11-13-23(22,5-2)27-15(3)25/h2,14,18-21,26H,4,6-13H2,1,3H3/b24-17+/t18-,19+,20+,21-,22-,23-/m0/s1 ChemAxon inchikey KIQQMECNKUGGKA-NMYWJIRASA-N ChemAxon polar_surface_area 58.89 ChemAxon refractivity 105 ChemAxon polarizability 42.82 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7226b45470> DB00957 6540478 5022837 BE0000557 BE0000123 BE0000132