Compound: QUINESTROL
SMILES: O(c1cc2c([C@@H]3[C@H]([C@H]4[C@]([C@](O)(C#C)CC4)(C)CC3)CC2)cc1)C5CCCC5
InChIKey: PWZUUYSISTUNDW-VAFBSOEGSA-N
Synonyms: QUINESTROL, 152-43-2, Estrovis, Estrovister, Plestrovis, Eston, Estradiol-17-beta 3-cyclopentyl ether, Quinestrolum, Estrovis 4000, Quinestrolo, 17-alpha-Ethinylestradiol 3-cyclopentyl ether, Quilea, 17alpha-Ethynylestradiol 3-cyclopentyl ether, W 3566, W-3566, JR0N7XD5GZ, (8R,9S,13S,14S,17R)-3-cyclopentyloxy-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol, DTXSID6046553, NSC-759637, CHEBI:8716, DTXCID4026553, 3-o-cyclopentyl-17alpha-ethinyl-estra-1,3,5(10)-triene-3,17beta-diol, 19-Norpregna-1,3,5(10)-trien-20-yn-17-ol, 3-(cyclopentyloxy)-, (17alpha)-, Ethinyl Estradiol 3-Cyclopentyl Ether, (8R,9S,13S,14S,17R)-3-cyclopentyloxy-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta(a)phenanthren-17-ol, RefChem:58323, Ethinyl Estradiol 3 Cyclopentyl Ether, (1S,10R,11S,14R,15S)-5-(cyclopentyloxy)-14-ethynyl-15-methyltetracyclo(8.7.0.02,7.011,15)heptadeca-2(7),3,5-trien-14-ol, 205-803-1, Quinestrolo [DCIT], Quinestrolum [INN-Latin], Qui-Lea, EECPE, 3-(Cyclopentyloxy)-19-nor-17alpha-pregna-1,3,5(10)-trien-20-yn-17-ol, MLS000069756, NCGC00166146-01, SMR000058815, MFCD00079189, 17ALPHA-ETHYLNYL-1,3,5[10]ESTRATRIENE-3,17BETA-DIOL 3-CYCLOPENTYL ETHER, Estrovis (TN), CAS-152-43-2, Quinestrol (USAN/INN), EINECS 205-803-1, UNII-JR0N7XD5GZ, 3-Cyclopentyloxy-17alpha-ethynylestra-1,3,5(10)-trien-17beta-ol, Quinestrol [USAN:USP:INN:BAN], Opera_ID_502, QUINESTROL [MI], QUINESTROL [INN], QUINESTROL [USAN], QUINESTROL [VANDF], QUINESTROL [MART.], QUINESTROL [WHO-DD], MLS001077287, SCHEMBL221134, GTPL7097, orb1310994, CHEMBL1201165, QUINESTROL [ORANGE BOOK], SCHEMBL29357231, MSK8596, HMS2235A05, 3-(cyclopentyloxy)-17beta-ethynylestra-1,3,5(10)-trien-17-ol, HY-B1012, Tox21_112340, EBC-17075, LMST02010037, MSK8596-100A, s3671, Ethynyl Estradiol-3-cyclopentyl ether, 19-Nor-17-alpha-pregna-1,3,5(10)-trien-20-yn-17-ol, 3-(cyclopentyloxy)-, AKOS025310158, MSK8596-1000A, Tox21_112340_1, CCG-268221, CS-4525, DB04575, FQ35100, NSC 759637, NCGC00166146-02, (1R,3aS,3bR,9bS,11aS)-7-(cyclopentyloxy)-1-ethynyl-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-ol, (8R,9S,13S,14S,17R)-3-(cyclopentoxy)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol, AS-13038, Q0091, C07619, C72888, D00576, Quinestrol Solution in Acetonitrile, 100ug/mL, Quinestrol Solution in Acetonitrile, 1000ug/mL, EN300-25025313, SR-01000759180, Q3927871, SR-01000759180-3, Estrovis?,Ethynyl Estradiol-3-cyclopentyl ether,W 3566, 3-(Cyclopentyloxy)-17alpha-19-norpregna-1,3,5(10)-trien-20-yn-17-ol, 3-(Cyclopentyloxy)-19-norpregna-1,3,5(10)-trien-20-yn-17.alpha.-ol, Estra-1(10),2,4-trien-17-ol, 3-(cyclopentyloxy)-17-ethynyl-, (17)-, 19-NORPREGNA-1,3,5(10)-TRIEN-20-YN-17-OL, 3-(CYCLOPENTYLOXY)-, 17.ALPHA., (1S,10R,11S,14R,15S)-5-(cyclopentyloxy)-14-ethynyl-15-methyltetracyclo[8.7.0.0?,?.0??,??]heptadeca-2,4,6-trien-14-ol
Theoretical properties:
molecular_formula: C25H32O2
molecular_weight: 364.5 g/mol
exact_mass: 364.240230259 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 3
heavy_atom_count: 27
topological_polar_surface_area: 29.5 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
solubility: 1.57e-03 g/L
Descriptions:
pubchem: Quinestrol is a 17-hydroxy steroid and a terminal acetylenic compound. It has a role as a xenoestrogen. It is functionally related to a 17beta-estradiol.
chembl: QUINESTROL is a small molecule listed in the ChEMBL database and has reached clinical trial phase 4.0.
wikipedia: Quinestrol, also known as ethinylestradiol cyclopentyl ether (EECPE), sold under the brand name Estrovis among others, is an estrogen medication which has been used in menopausal hormone therapy, hormonal birth control, and to treat breast cancer and prostate cancer. It is taken once per week to once per month by mouth.