Compound: 7759-35-5
SMILES: O=C1C=C2[C@@H]([C@@H]3[C@H]([C@H]4[C@]([C@@](OC(=O)C)(C(=O)C)C(C4)=C)(C)CC3)CC2)CC1
InChIKey: CKFBRGLGTWAVLG-GOMYTPFNSA-N
Synonyms: 7759-35-5, Segesterone acetate, Nestorone, Elcometrine, ST-1435, 9AMX4Q13CC, 17-Hydroxy-16-methylene-19-norpregn-4-ene-3,20-dione acetate, DTXSID70998804, 16-Methylene-17-alpha-acetoxy-19-nor-4-pregnene-3,20-dione, 19-Norpregn-4-ene-3,20-dione, 17-(acetyloxy)-16-methylene-, ANNOVERA COMPONENT SEGESTERONE ACETATE, (1R,3aS,3bR,9aR,9bS,11aS)-1-acetyl-11a-methyl-2-methylidene-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl acetate, (1R,3aS,3bR,9aR,9bS,11aS)-1-acetyl-11a-methyl-2-methylidene-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta(a)phenanthren-1-yl acetate, RefChem:182235, DTXCID001425786, Nestoron, ST 1435, Segesterone acetate [USAN], 17-(Acetyloxy)-16-methylene-19-norpregn-4-ene-3,20-dione, Segesterone acetate (USAN), [(8R,9S,10R,13S,14S,17R)-17-acetyl-13-methyl-16-methylidene-3-oxo-2,6,7,8,9,10,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate, Elcometrine;ST-1435, UNII-9AMX4Q13CC, segesterone-acetate, Nestorone (TN), MFCD01711303, 16-methylene-17alpha-acetoxy-19-nor-4-pregnen-3,20-dione, ELCOMETRINE [MI], orb1146523, orb1302027, SCHEMBL1261001, CHEMBL3707377, Elcometrine;Nestorone;ST-1435, Nestorone, >=97% (HPLC), CHEBI:135563, GLXC-15529, 19-Norpregn-4-ene-3,20-dione, 17-hydroxy-16-methylene-, acetate, EBC-26825, SEGESTERONE ACETATE [WHO-DD], AKOS025402243, AC-6844, CS-0411, DB14583, NCGC00487114-02, SEGESTERONE ACETATE [ORANGE BOOK], (8R,9S,10R,13S,14S,17R)-17-acetyl-13-methyl-16-methylene-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl acetate, [(8R,9S,10R,13S,14S,17R)-17-acetyl-13-methyl-16-methylene-3-oxo-2,6,7,8,9,10,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate, DA-66036, HY-13071, MS-25961, D10986, E89278, EN300-19790341, Q1978481, 16-Methylidene-3,20-dioxo-19-norpregn-4-en-17-yl acetate, 16-METHYLENE-17.ALPHA.-ACETOXY-19-NOR-PREGN-4-ENE-3,20-DIONE, 17-(ACETYOXY)-16- METHYLENE -19-NONPREGN-4-ENE-3,20-DIONE
Theoretical properties:
molecular_formula: C23H30O4
molecular_weight: 370.5 g/mol
exact_mass: 370.21440943 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 4
rotatable_bond_count: 3
heavy_atom_count: 27
topological_polar_surface_area: 60.4 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
melting_point: 173-177
solubility: Insoluble
Descriptions:
pubchem: Elcometrine is a corticosteroid hormone.
chembl: SEGESTERONE ACETATE is a small molecule listed in the ChEMBL database and has reached clinical trial phase 4.0.
wikipedia: Segesterone acetate (SGA), sold under the brand name Nestorone among others, is a progestin medication which is used in birth control and in the treatment of endometriosis. It is available both alone and in combination with an estrogen as segesterone acetate/ethinylestradiol. It is not effective by mouth and must be given by other routes, most typically as a vaginal ring or implant that is placed into fat.
Side effects of segesterone acetate are similar to those of other progestins. Segesterone acetate is a progestin, or a synthetic progestogen, and hence is an agonist of the progesterone receptor, the biological target of progestogens like progesterone. It has some affinity for the glucocorticoid receptor and has no other important hormonal activity.
Segesterone acetate was developed by the Population Council and was introduced for medical use by 2000. It is under development in the United States and Europe as a gel in combination with estradiol or testosterone for use as a method of birth control in women and in men, respectively. In August 2018, a first-of-its-kind one-year contraceptive vaginal ring containing segesterone acetate in combination with ethinyl estradiol was approved in the United States.