Compound: CANRENONE
SMILES: O=C1C=C2C=C[C@H]3[C@H]4[C@]([C@@]5(OC(=O)CC5)CC4)(C)CC[C@@H]3[C@@]2(C)CC1
InChIKey: UJVLDDZCTMKXJK-WNHSNXHDSA-N
Synonyms: CANRENONE, 976-71-6, Aldadiene, SC-9376, Canrenonum, DTXSID3045930, Spironolactone metabolite m1, 78O20X9J0U, SC9376, NSC-261713, DTXCID1025930, Pregna-4,6-diene-21-carboxylic acid, 17-hydroxy-3-oxo-, gamma-lactone (17alpha)-, (1'S,2R,2'R,10'R,11'S,15'S)-2',15'-dimethylspiro(oxolane-2,14'-tetracyclo(8.7.0.0^(2,7).0^(11,15))heptadecane)-6',8'-diene-5,5'-dione, (1'S,2R,2'R,10'R,11'S,15'S)-2',15'-dimethylspiro[oxolane-2,14'-tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecane]-6',8'-diene-5,5'-dione, RefChem:123246, R.P., 11614, Pregna-4,6-diene-21-carboxylic acid, 17-hydroxy-3-oxo-, gamma-lactone, (17alpha)-, 213-554-5, SC 9376, Phanurane, Luvion, Canrenona, MFCD00071735, (8R,9S,10R,13S,14S,17R)-10,13-dimethylspiro[2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione, Canrenone (USAN), 17-Hydroxy-3-oxo-17alpha-pregna-4,6-diene-21-carboxylic acid gamma-lactone, CANRENONE [USAN], NSC 261713, Pregna-4,6-diene-21-carboxylic acid, 17-hydroxy-3-oxo-, g-lactone,(17a)-, Aldadiene (VAN), (10R,13S,17R)-10,13-dimethylspiro[2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione, Canrenone [USAN:INN], Canrenonum [INN-Latin], Canrenona [INN-Spanish], (2'R,8R,9S,10R,13S,14S)-10,13-dimethyl-1,8,9,10,11,12,13,14,15,16-decahydro-3'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-3,5'(2H,4'H)-dione, CAS-976-71-6, SMR000539206, 11614 R. P., EINECS 213-554-5, BRN 0046602, Aldadiene;SC9376;SC14266, Spiroletan, Spironolactone EP impurity F, UNII-78O20X9J0U, 11614 R.P, Phanurane;, Contaren;, Canrenone CRS, Luvion;, 20-Spiroxa-4,6-diene-3,21-dione, 3',4'-Dihydrospiro[androst-4,6-diene-17,2'(5'H)-furan]-3,5'-dione (Canrenone), NCGC00095148-01, (8R,9S,10R,13S,14S,17R)-10,13-dimethyl-1,8,9,10,11,12,13,14,15,16-decahydro-3'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-3,5'(2H,4'H)-dione, Canrenone (Standard), Canrenone - 95%, CANRENONE [INN], CANRENONE [MI], 17alpha-(2-Carboxyethyl)-17beta-hydroxyandrosta-4,6-dien-3-one lactone, CANRENONE [MART.], EC 213-554-5, CANRENONE [WHO-DD], SCHEMBL19560, 5-17-11-00476 (Beilstein Handbook Reference), MLS001163777, MLS001304014, MLS001304154, Canrenone - Bio-X trade mark, orb1310694, orb3025819, Canrenone, >=97% (HPLC), CHEMBL1463345, GTPL13963, HY-B1438R, CHEBI:135445, Pregna-4,6-diene-21-carboxylic acid, 17-hydroxy-3-oxo-, .gamma.-lactone (17.alpha.)-, HMS2090K21, HMS2870D16, HMS3715A05, HY-B1438, Tox21_111451, (17a)-17-Hydroxy-3-oxopregna-4, BBL010921, EBC-13716, s5273, STK801874, AKOS005622473, Tox21_111451_1, 6-diene-21-carboxylic acid ?-lactone, AC-1323, CCG-220962, DB12221, FC19670, MSK000847-100A, 17alpha-Pregna-4,6-diene-21-carboxylic acid, 17-hydroxy-3-oxo-, gamma-lactone, MSK000847-1000A, NCGC00263479-01, NCGC00263479-02, NCGC00263479-06, (1R,3aS,3bR,9aR,9bS,11aS)-9a,11a-dimethyl-2,3,3a,3b,7,8,9,9a,9b,10,11,11a-dodecahydrospiro[cyclopenta[a]phenanthrene-1,2'-oxolane]-5',7-dione, AS-13160, BC300044, FC166171, CS-0013142, NS00010904, Canrenone Solution in Acetonitrile, 100ug/mL, Canrenone Solution in Acetonitrile, 1000ug/mL, D03363, D95826, EN300-123063, SPIRONOLACTONE IMPURITY F [EP IMPURITY], AB00825212-04, AB00825212-06, SR-01000813823, Q5033475, SR-01000813823-2, 17b-Hydroxy-3-oxopregna-4,6-diene-21-carboxylic acid, Z1546624239, Canrenone, European Pharmacopoeia (EP) Reference Standard, Eplerenone Impurity - Canrenone; Spironolactone EP Impurity F, 17-Hydroxy-3-oxo-17a-pregna-4,6-diene-21-carboxylic acid lactone, 17a-(2-Carboxyethyl)-17b-hydroxyandrosta-4,6-dien-3-one lactone, 17a-2-Carboxyethyl-17b-hydroxyandrosta-4,6-dien-3-one lacton e, (7a)-17-Hydroxy-3-oxo-pregna-4,6-diene-21-carboxylic acid gamma-lactone, 17-Hydroxy-3-oxo-17a-pregna-4,6-diene-21-carboxylic acid g-lactone, 3'-(3-Oxo-17b-hydroxyandrosta-4,6-dien-17a-yl)-propionic acid lactone, 3-(17b-Hydroxy-3-oxoandrosta-4,6-dien-17a-yl)propionic acid g-lactone, 3-(17b-Hydroxy-3-oxoandrosta-4,6-dien-17a-yl)propionic acid lactone, 3-(3-Oxo-17b-hydroxy-4,6-androstadien-17a-yl)propionic acid g-lactone, 2R)-3,4-DIHYDRO-5H-SPIRO(ANDROST-4,6-DIENE-17,2-FURAN)-3,5-DIONE, (1R,3aS,3bR,9aR,9bS,11aS)-9a,11a-Dimethyl-2,3,3a,8,9,9a,9b,10,11,11a-decahydrospiro[cyclopenta[a]phenanthrene-1,2'-oxolane]-5',7(3bH)-dione, (8R,9S,10R,13S,14S,17R)-10,13-dimethyl-1,3',4',8,9,10,11,12,13,14,15,16-dodecahydro-5'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-3,5'(2H)-dione, (8R,9S,10R,13S,14S,17R)-10,13-dimethylspiro[2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,5'-tetrahydrofuran]-2',3-dione
Theoretical properties:
molecular_formula: C22H28O3
molecular_weight: 340.5 g/mol
exact_mass: 340.20384475 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 0
heavy_atom_count: 25
topological_polar_surface_area: 43.4 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
melting_point: 150 °C
Descriptions:
pubchem: Canrenone is a steroid lactone.
chembl: CANRENONE is a small molecule listed in the ChEMBL database and has reached clinical trial phase 4.0.
wikipedia: Canrenone, sold under the brand names Contaren, Luvion, Phanurane, and Spiroletan, is a steroidal antimineralocorticoid of the spirolactone group related to spironolactone which is used as a diuretic in Europe, including in Italy and Belgium. It is also an important active metabolite of spironolactone, and partially accounts for its therapeutic effects.