Compound: formestane
SMILES: O=C1C(O)=C2[C@]([C@@H]3[C@H]([C@H]4[C@](C(=O)CC4)(C)CC3)CC2)(C)CC1
InChIKey: OSVMTWJCGUFAOD-KZQROQTASA-N
Synonyms: formestane, 566-48-3, 4-Hydroxyandrost-4-ene-3,17-dione, Lentaron, 4-Hydroxyandrostenedione, CGP-32349, 4-OH-A, CGP 32349, 4-Hydroxy-4-androstene-3,17-dione, formestano, 4-OHA, formestanum, DTXSID3034113, 4-OHAD, NSC-282175, 4-oh-androstene-3,17-dione, PUB9T8T355, 4-hydroxy-Delta(4)-androstenedione, DTXCID1014113, CHEBI:75172, 4-hydroxyandrostene-3,17-dione, CGP 32 349, (8R,9S,10R,13S,14S)-4-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta(a)phenanthrene-3,17-quinone, (8R,9S,10R,13S,14S)-4-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-quinone, RefChem:921765, L02BG02, NSC 282175, ANDROST-4-ENE-3,17-DIONE, 4-HYDROXY-, B, Aromatase inhibitor, (8R,9S,10R,13S,14S)-4-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione, MLS000028826, MLS002153359, Formestane (INN), Lentaron(R), SMR000058722, FORMESTANE [INN], 17-dione, Formestane [INN:BAN], CAS-566-48-3, CCRIS 7483, 4-Hydroxy-delta(sub 4)-androstenedione, BRN 1889793, UNII-PUB9T8T355, SaveCream, Lentaron Depot, Formestane, solid, NCGC00015070-04, NCGC00164380-02, Lentaron (TN), Lentaron(R)17-dione, FORMESTANE [MI], Opera_ID_865, FORMESTANE [MART.], FORMESTANE [WHO-DD], SCHEMBL25717, MLS001148070, Androst-4-ene-3, 4-hydroxy-, 4-hydroxy-Delta4-androstenedione, MSK8040, BDBM225704, CS333, GLXC-08158, HMS2090I22, HMS2234J06, HMS3715G16, HY-B0697, Tox21_112111, Tox21_113509, Tox21_302286, 4-Hydroxyandrostendione (Formestane), MFCD00057814, MSK8040-100M, NSC282175, s2208, 4-hydroxy-androst-4-ene-3,17-dione, AKOS015895451, Tox21_112111_1, CCG-221077, DB08905, FF23546, NCGC00164380-01, NCGC00255321-01, NCGC00344560-01, (8R,9S,10R,13S,14S)-4-hydroxy-10,13-dimethyl-7,8,9,10,11,12,13,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17(2H,6H)-dione, AS-75658, NCI60_002316, Formestane Solution in Methanol, 100ug/mL, NS00009015, D07260, AB00572625-07, SR-01000721948, Q3077501, SR-01000721948-2, 4-Hydroxyandrost-4-ene-3,17-dione, 4-OHA, CGP-32349, lentaron, "Carbon Isotope Delta Value (d13CVPDB /  per thousand):  Formestane (-30.71 +/- 0.48)* (for WADA labs, only)", (10R,13S)-4,10,13-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
Theoretical properties:
molecular_formula: C19H26O3
molecular_weight: 302.4 g/mol
exact_mass: 302.18819469 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 0
heavy_atom_count: 22
topological_polar_surface_area: 54.4 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
solubility: Insoluble
Descriptions:
{"pubchem": "Formestane is a 17-oxo steroid that is androst-4-ene-3,17-dione in which the hydrogen at position 4 is replaced by a hydroxy group. Formestane was the first selective, type I steroidal aromatase inhibitor, suppressing oestrogen production from anabolic steroids or prohormones. It was formerly used in the treatment of oestrogen-receptor positive breast cancer in post-meopausal women. As it has poor oral bioavailability, it had to be administered by (fortnightly) intramuscular injection. It fell out of use with the subsequent development of cheaper, orally active aromatase inhibitors. Formestane is listed by the World Anti-Doping Agency as a substance prohibited from use by athletes. It has a role as an antineoplastic agent and an EC 1.14.14.14 (aromatase) inhibitor. It is a 17-oxo steroid, an enol, a hydroxy steroid and a 3-oxo-Delta(4) steroid. It derives from a hydride of an androstane.", "chebi": "A 17-oxo steroid that is androst-4-ene-3,17-dione in which the hydrogen at position 4 is replaced by a hydroxy group. Formestane was the first selective, type I steroidal aromatase inhibitor, suppressing oestrogen production from anabolic steroids or prohormones. It was formerly used in the treatment of oestrogen-receptor positive breast cancer in post-meopausal women. As it has poor oral bioavailability, it had to be administered by (fortnightly) intramuscular injection. It fell out of use with the subsequent development of cheaper, orally active aromatase inhibitors. Formestane is listed by the World Anti-Doping Agency as a substance prohibited from use by athletes.", "chembl": "FORMESTANE is a small molecule listed in the ChEMBL database and has reached clinical trial phase 2.0.", "wikipedia": "Formestane, formerly sold under the brand name Lentaron among others, is a steroidal, selective aromatase inhibitor which is used in the treatment of estrogen receptor-positive breast cancer in postmenopausal women. The drug is not active orally, and was available only as an intramuscular depot injection. Formestane was not approved by the United States FDA and the injectable form that was used in Europe in the past has been withdrawn from the market.   Formestane is an analogue of androstenedione.\nFormestane is often used to suppress the production of estrogens from anabolic steroids or prohormones. It also acts as a prohormone to 4-hydroxytestosterone, an active steroid which displays weak androgenic activity in addition to acting as a weak aromatase inhibitor."}