Compound: androsta-1,4-diene-3,17-dione
SMILES: O=C1C=C2[C@]([C@@H]3[C@H]([C@H]4[C@](C(=O)CC4)(C)CC3)CC2)(C)C=C1
InChIKey: LUJVUUWNAPIQQI-QAGGRKNESA-N
Synonyms: androsta-1,4-diene-3,17-dione, Boldione, 1,4-Androstadiene-3,17-dione, 897-06-3, 1-Dehydroandrostenedione, DTXSID00862463, J38.935H, (8R,9S,10R,13S,14S)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-dione, 2166Q8568W, CHEBI:40799, NSC-49080, androst-1,4-diene-3,17-dione, (1S,2R,10R,11S,15S)-2,15-dimethyltetracyclo(8.7.0.0^(2,7).0^(11,15))heptadeca-3,6-diene-5,14-dione, (1S,2R,10R,11S,15S)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-3,6-diene-5,14-dione, (8R,9S,10R,13S,14S)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta(a)phenanthrene-3,17-dione, RefChem:569800, DTXCID001773032, 212-977-2, Androstadienedione, ANDROSTA-1,4-DIEN-3,17-DIONE, NSC 49080, Androstra-1,4-diene-3,17-dione, Androstane-1,4-diene-3,17-dione, MFCD00003614, (+)-Androsta-1,4-diene-3,17-dione, .DELTA.1,4-Androstadiene-3,17-dione, (8R,9S,10R,13S,14S)-10,13-dimethyl-7,8,9,10,11,12,13,14,15,16-decahydro-3H-cyclopenta[a]phenanthrene-3,17(6H)-dione, Boldione (1.0mg/ml in Acetonitrile), ANB, ANDROSTENEDONE, EINECS 212-977-2, Androsta-1,4-diene-3,17-dione (Androstadienedione), 1,4-Androstadien-3,17-dione, Androstadiendione, UNII-2166Q8568W, Exemestane EP Impurity D, EC 212-977-2, MLS002207247, SCHEMBL134061, CHEMBL1078534, BDBM91718, 1h62, Androsta-1,4-diene-3, 17-dione, Boldione (1 mg/ml in Acetonitrile), BBL033692, STK801872, Androst-1,4-dien-3,17-dione, 7, Androstane-1,4-diene-3, 17-dione, AKOS005622723, DB07373, FB18999, (3aS,3bR,9aR,9bS,11aS)-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-1,7-dione, SMR000112159, VS-12222, EXEMESTANE IMPURITY D [EP IMPURITY], A0856, TESTOSTERONE IMPURITY G [EP IMPURITY], 1,4-Androstadiene-3,17-dione (Boldendione), C20144, (8alpha,14beta)-androsta-1,4-diene-3,17-dione, Q4939115, Exemestane EP Impurity D; Testosterone EP Impurity G, (8R,10R,13S)-10,13-Dimethyl-7,8,9,10,11,12,13,14,15,16-decahydro-6H-cyclopenta[a]phenanthrene-3,17-dione, 10,13-Dimethyl-7,8,9,10,11,12,13,14,15,16-decahydro-6H-cyclopenta[a]phenanthrene-3,17-dione
Theoretical properties:
molecular_formula: C19H24O2
molecular_weight: 284.4 g/mol
exact_mass: 284.177630004 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 0
heavy_atom_count: 21
topological_polar_surface_area: 34.1 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Androsta-1,4-diene-3,17-dione is a steroid that consists of androstane having double bonds at positions 1 and 4 and two keto groups at positions 3 and 17. It is a 17-oxo steroid, a 3-oxo-Delta(1) steroid and a 3-oxo-Delta(4) steroid. It derives from a hydride of an androstane.
chebi: A steroid that consists of androstane having double bonds at positions 1 and 4 and two keto groups at positions 3 and 17.
chembl: ANDROSTENEDONE is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Boldione, also known as androstadienedione or 1-dehydroandrostenedione, as well as 1,4-androstadiene-3,17-dione, is an important industrial precursor for various steroid hormones.  In the United States the chemical is regulated as a Schedule III Controlled Substance.