Compound: Trilostane
SMILES: O1[C@]23[C@@]([C@@H]4[C@H]([C@H]5[C@]([C@@H](O)CC5)(C)CC4)CC2)(CC(=C([C@@H]13)O)C#N)C
InChIKey: KVJXBPDAXMEYOA-CXANFOAXSA-N
Synonyms: Trilostane, 13647-35-3, Modrenal, Vetoryl, Desopan, Modrastane, Trilostano, Win-24540, Trilostanum, WIN 24,540, DTXSID9023706, L0FPV48Q5R, Win 24540, CHEBI:32260, NSC-758904, Androst-2-ene-2-carbonitrile, 4,5-epoxy-3,17-dihydroxy-, (4alpha,5alpha,17beta)-, DTXCID103706, (1S,2R,6R,8S,11S,12S,15S,16S)-5,15-dihydroxy-2,16-dimethyl-7-oxapentacyclo[9.7.0.0^{2,8}.0^{6,8}.0^{12,16}]octadec-4-ene-4-carbonitrile, (1S,2R,6R,8S,11S,12S,15S,16S)-5,15-dihydroxy-2,16-dimethyl-7-oxapentacyclo(9.7.0.0^(2,8).0^(6,8).0^(12,16))octadec-4-ene-4-carbonitrile, VETORYL CAPSULES, RefChem:56170, 4alpha,5-epoxy-17beta-hydroxy-3-oxoandrostane-2-carbonitrile, 2Alpha-cyano-4alpha,5alpha-epoxyandrostan-17beta-ol-3-one, (4Alpha,5alpha,17beta)-4,5-epoxy-3,17-dihydroxyandrost-2-ene-2-carbonitrile, 237-133-0, 4,5-Epoxy-17-hydroxy-3-oxoandrostane-2-carbonitrile, MFCD00199295, 4alpha,5-Epoxy-3,17beta-dihydroxy-5alpha-androst-2-ene-2-carbonitrile, (1aR,4aR,4bS,6aS,7S,9aS,9bS,11aS)-2,7-dihydroxy-4a,6a-dimethyl-1a,4,4a,4b,5,6,6a,7,8,9,9a,9b,10,11-tetradecahydrocyclopenta[7,8]phenanthro[1,10a-b]oxirene-3-carbonitrile, (1S,2R,6R,8S,11S,12S,15S,16S)-5,15-dihydroxy-2,16-dimethyl-7-oxapentacyclo[9.7.0.02,8.06,8.012,16]octadec-4-ene-4-carbonitrile, Modrenal (TN), Desopan (TN), CAS-13647-35-3, Trilostane (JAN/USAN), Trilostanum [INN-Latin], Trilostano [INN-Spanish], UNII-L0FPV48Q5R, (4alpha,5alpha,17beta)-3,17-dihydroxy-4,5-epoxyandrost-2-ene-2-carbonitrile, Androst-2-ene-2-carbonitrile, 4,5-epoxy-3,17-dihydroxy-, (4.alpha.,5.alpha.,17.beta.)-, KVJXBPDAXMEYOA-CXANFOAXSA-N, Trilostane [USAN:INN:BAN:JAN], NCGC00274061-01, EINECS 237-133-0, WIN 24450, Trilostane (Standard), TRILOSTANE [MI], TRILOSTANE [INN], TRILOSTANE [JAN], TRILOSTANE [USAN], TRILOSTANE [VANDF], Androst-2-ene-2-carbonitrile, 4,5-epoxy-3,17-dihydroxy-, (4a,5a,17b)-, SCHEMBL7517, TRILOSTANE [MART.], TRILOSTANE [WHO-DD], GTPL6850, orb1308537, Trilostane - Bio-X trade mark, TRILOSTANE [GREEN BOOK], CHEMBL1200907, TRILOSTANE [ORANGE BOOK], Trilostane, >=98% (HPLC), GLXC-06572, HMS3884A15, Tox21_112454, Tox21_302406, 4-alpha,5-Epoxy-3,17-dihydroxy-5-alpha-androst-2-ene-2-carbonitrile, AC-927, BDBM50247882, EBC-11126, HY-14281R, s1404, 3,17beta-dihydroxy-4alpha,5-epoxy-5alpha-androst-2-ene-2-carbonitrile, AKOS015964043, AKOS032947221, Tox21_112454_1, Trilostane(Win 24540; Modrastane)?, CCG-267803, CS-1707, DB01108, FT28510, KS-1414, NSC 758904, (2-alpha,4-alpha,5-alpha,17-beta)-4,5-Epoxy-17-hydroxy-3-oxoandrostane-2-carbonitrile, 4-alpha-5-Epoxy-17-beta-hydroxy-3-oxo-5-alpha-androstane-2-alpha-carbonitrile, Androstane-2-carbonitrile, 4,5-epoxy-17-hydroxy-3-oxo-, (2-alpha,4-alpha,5-alpha,17-beta)-, NCGC00255201-01, (1aR,4aR,4bS,6aS,7S,9aS,9bS,11aS)-2,7-dihydroxy-4a,6a-dimethyl-1a,4,4a,4b,5,6,6a,7,8,9,9a,9b,10,11-tetradecahydrocyclopenta[7,8]phenanthro[1,10a-b]oxirene-3-carbonitrile., BT300134, HY-14281, SY046020, NS00018304, D01180, EN300-122374, AB01274788-01, AB01274788_02, Q907313, Z1541759903, Trilostane; 13647-35-3; Vetoryl; Modrenal; Modrastane, 3,17beta-Dihydroxy-4alpha,5alpha-4,5-epoxyandrost-2-ene-2-carbonitrile, (2-alpha,4-alpha,5-alpha,17-beta)-4,5-epoxy-17-hydroxy-3-oxoandrostane-2-car, 5-alpha-ANDROSTANE-2-alpha-CARBONITRILE, 4-alpha,5-EPOXY-17-beta-HYDROXY-3-OXO-, Androst-2-ene-2-carbonitrile, 4,5-epoxy-3,17-dihydroxy-, (4|A,5|A,17|A)-, (1S,2R,6R,8S,11S,12S,15S,16S)-2,16-dimethyl-5,15-bis(oxidanyl)-7-oxapentacyclo[9.7.0.02,8.06,8.012,16]octadec-4-ene-4-carbonitrile
Theoretical properties:
molecular_formula: C20H27NO3
molecular_weight: 329.4 g/mol
exact_mass: 329.19909372 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 2
hydrogen_bond_acceptor_count: 4
rotatable_bond_count: 0
heavy_atom_count: 24
topological_polar_surface_area: 76.8 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
solubility: 5.93e-02 g/L
Descriptions:
pubchem: Trilostane can cause developmental toxicity according to state or federal government labeling requirements.
chebi: An epoxy steroid that is 3,17β-dihydroxy-5α-androst-2-ene-2-carbonitrile in which the oxygen of the epoxy group is joined to the 4α and 5 α positions.
chembl: TRILOSTANE is a small molecule listed in the ChEMBL database and has reached clinical trial phase 4.0.
wikipedia: Trilostane, sold under the brand name Vetoryl among others, is a medication which has been used in the treatment of Cushing's syndrome, Conn's syndrome, and postmenopausal breast cancer in humans. It was withdrawn for use in humans in the United States in the 1990s but was subsequently approved for use in veterinary medicine in the 2000s to treat Cushing's syndrome in dogs. It is taken by mouth.