Compound: EXEMESTANE
SMILES: O=C1C=C2C(=C)C[C@H]3[C@H]4[C@](C(=O)CC4)(C)CC[C@@H]3[C@@]2(C)C=C1
InChIKey: BFYIZQONLCFLEV-DAELLWKTSA-N
Synonyms: EXEMESTANE, 107868-30-4, Aromasin, 6-Methyleneandrosta-1,4-diene-3,17-dione, Exemestano, FCE-24304, Exemestanum, Androsta-1,4-diene-3,17-dione, 6-methylene-, FCE24304, PNU-155971, DTXSID5023037, NY22HMQ4BX, NSC713563, NSC-758907, CHEBI:4953, DTXCID003037, (8R,9S,10R,13S,14S)-10,13-dimethyl-6-methylidene-7,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,17-dione, examestane, (1S,2R,10R,11S,15S)-2,15-dimethyl-8-methylidenetetracyclo(8.7.0.0^(2,7).0^(11,15))heptadeca-3,6-diene-5,14-dione, (1S,2R,10R,11S,15S)-2,15-dimethyl-8-methylidenetetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-3,6-diene-5,14-dione, (8R,9S,10R,13S,14S)-10,13-dimethyl-6-methylidene-7,8,9,11,12,14,15,16-octahydrocyclopenta(a)phenanthrene-3,17-dione, RefChem:57964, L02BG06, Fce 24304, Exemestanum [INN-Latin], Exemestano [INN-Spanish], 6-Methylene-androsta-1,4-diene-3,17-dione, C20H24O2, Exemestan, Exemestane (Standard), 6-Methylenandrosta-1,4-diene-3,17-dione, Aromasine, (8R,9S,10R,13S,14S)-10,13-dimethyl-6-methylene-7,8,9,10,11,12,13,14,15,16-decahydro-3H-cyclopenta[a]phenanthrene-3,17(6H)-dione, (8R,9S,10R,13S,14S)-10,13-Dimethyl-6-methylene-7,8,9,11,12,13,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17(10H,14H)-dione, Aromasil, MFCD00866994, 6-methylideneandrosta-1,4-diene-3,17-dione, Exemestane [USAN:INN:BAN], Nikidess, (8alpha,10alpha,13alpha)-6-Methylideneandrosta-1,4-Diene-3,17-Dione, Aromasin (TN), SMR000466314, CAS-107868-30-4, HSDB 7463, Curator_000009, UNII-NY22HMQ4BX, Exemestane (JAN/USP/INN), CCRIS 9351, Aromasin;, Exemestane CRS, NCGC00095289-01, Androsta-1,4-diene-3,17-dione, 6-methylene-; 6-Methyleneandrosta-1,4-diene-3,17-dione; Aromasil; Aromasin; Exemestane; FCE 24304, Exemestane [INN], Exemestane; aromasin, Exemestane, Aromasin, PNU 155971, EXEMESTANE [MI], EXEMESTANE [JAN], EXEMESTANE [HSDB], EXEMESTANE [USAN], EXEMESTANE [VANDF], EXEMESTANE [MART.], SCHEMBL6215, Aromasin (Pharmacia Upjohn), EXEMESTANE [USP-RS], EXEMESTANE [WHO-DD], Exemestane(FCE 24304), MLS000759419, MLS001424062, orb315348, Exemestane(FCE 24304)?, GTPL7073, 6-Methylenandrosta-1,17-dione, CHEMBL1200374, EXEMESTANE [ORANGE BOOK], Exemestane, >=98% (HPLC), EXEMESTANE [EP MONOGRAPH], EXEMESTANE [USP MONOGRAPH], GLXC-06573, HMS2051J04, HMS3713H12, MSK10960, Tox21_111499, BDBM50398447, HY-13632R, s1196, Exemestane for system suitability CRS, AKOS015840113, AKOS015895161, Tox21_111499_1, AC-2171, CCG-100995, CS-1766, DB00990, FM23211, KS-5136, NC00245, NSC 758907, NSC-713563, NCGC00271596-03, (8R,9S,10R,13S,14S)-10,13-dimethyl-6-methylene-7,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,17-dione, 6-methylenandrost-1,4-dien-3,17-dione, AS-31053, CPD000466314, HY-13632, 6-Methylen-androst-1,4-diene-3,17-dione, CS-0694867, E0941, NS00000304, C08162, D00963, AB00639936-06, AB00639936-08, AB00639936-09, AB00639936-10, AB00639936_11, Q418819, SR-01000759393, SR-01000759393-4, BRD-K33425534-001-12-5, Exemestane, European Pharmacopoeia (EP) Reference Standard, Exemestane, United States Pharmacopeia (USP) Reference Standard, Exemestane, Pharmaceutical Secondary Standard; Certified Reference Material, Exemestane for system suitability, European Pharmacopoeia (EP) Reference Standard, EXM
Theoretical properties:
molecular_formula: C20H24O2
molecular_weight: 296.4 g/mol
exact_mass: 296.177630004 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 0
heavy_atom_count: 22
topological_polar_surface_area: 34.1 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: ... white to slightly yellow crystalline powder
color: ... white to slightly yellow crystalline powder
solubility: Non-soluble
Descriptions:
pubchem: Exemestane is a 17-oxo steroid that is androsta-1,4-diene-3,17-dione in which the hydrogens at position 6 are replaced by a double bond to a methylene group. A selective inhibitor of the aromatase (oestrogen synthase) system, it is used in the treatment of advanced breast cancer. It has a role as an antineoplastic agent, a xenobiotic, an EC 1.14.14.14 (aromatase) inhibitor and an environmental contaminant. It is a 17-oxo steroid and a 3-oxo-Delta(1),Delta(4)-steroid. It derives from a hydride of an androstane.
chebi: A 17-oxo steroid that is androsta-1,4-diene-3,17-dione in which the hydrogens at position 6 are replaced by a double bond to a methylene group. A selective inhibitor of the aromatase (oestrogen synthase) system, it is used in the treatment of advanced breast cancer.
chembl: EXEMESTANE is a small molecule listed in the ChEMBL database and has reached clinical trial phase 4.0.
wikipedia: Exemestane, sold under the brand name Aromasin among others, is a medication used to treat breast cancer. It is a member of the class of antiestrogens known as aromatase inhibitors. Some breast cancers require estrogen to grow. Those cancers have estrogen receptors (ERs), and are called ER-positive. They may also be called estrogen-responsive, hormonally-responsive, or hormone-receptor-positive. Aromatase is an enzyme that synthesizes estrogen. Aromatase inhibitors block the synthesis of estrogen. This lowers the estrogen level, and slows the growth of cancers.