Compound: Pregnanolone
SMILES: O=C([C@@H]1[C@@]2([C@H]([C@H]3[C@@H]([C@@]4([C@@H](C[C@H](O)CC4)CC3)C)CC2)CC1)C)C
InChIKey: AURFZBICLPNKBZ-YZRLXODZSA-N
Synonyms: Pregnanolone, ELTANOLONE, 128-20-1, 3alpha-Hydroxy-5beta-pregnan-20-one, Pregnan-3alpha-ol-20-one, Eltanolona, Eltanolonum, (3alpha,5beta)-3-hydroxypregnan-20-one, Pregnan-20-one, 3-hydroxy-, (3alpha,5beta)-, BXO86P3XXW, Kabi 2213, Kabi-2213, SKF-6455, NSC-82867, Allopregnan-3 beta-ol-20-one, DTXSID1046342, 3 Hydroxypregnan 20 one, 1-[(3R,5R,8R,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone, Pregnan 3alpha ol 20 one, 3 alpha, 5 beta-Tetrahydroprogesterone, 3 alpha-Hydroxy-5 beta-pregnan-20-one, 5beta-Pregnan-20-one, 3alpha-hydroxy-, CHEBI:1712, Allopregnan 3 beta ol 20 one, beta-ol-20-one, Allopregnan-3, DTXCID101474386, NSC82867, 3beta Hydroxy 5alpha pregnan 20 one, 3 alpha, 5 beta Tetrahydroprogesterone, 3 alpha Hydroxy 5 beta pregnan 20 one, alpha-Hydroxy-5 beta-pregnan-20-one, 3, beta-pregnan-20-one, 3 alpha-Hydroxy-5, 1-((3R,5R,8R,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta(a)phenanthren-17-yl)ethanone, RefChem:868470, Pregnanolone, (3alpha,5beta)-, Pregnanolone II, Eltanolone [INN], SKF 6455, NSC 82867, 3alpha-Hydroxy-5beta-pregnane-20-one, 3alpha-Hydroxy-5beta-tetrahydroprogesterone, 5beta-Pregnan-3alpha-ol-20-one, Pregnan-3.alpha.-ol-20-one, 5B-Pregnan-3A-ol-20-one, 3.alpha.-Hydroxy-5.beta.-pregnan-20-one, 5?-Pregnan-3?-ol-20-one, 5.beta.-Pregnan-20-one, 3.alpha.-hydroxy-, 3.alpha.,5.beta.-Epimeric pregnanolone, 3.alpha.-Hydroxy-5.beta.-tetrahydroprogesterone, Pregnan-20-one, 3-hydroxy-, (3.alpha.,5.beta.)-, Eltanolonum [INN-Latin], Eltanolona [INN-Spanish], 3alpha,5beta-Epimeric pregnanolone, pregnan-3a-ol-20-one, MLS002694512, UNII-BXO86P3XXW, BRN 4785659, 3-alpha-Hydroxy-5-beta-pregnan-20-one, NCGC00163287-01, 3alpha,5beta-tetrahydroprogesterone, P9N, 3alpha,5beta-THP, MFCD00067137, Pregnanolone, (3alpha,5beta)-isomer, WLN: L E5 B666TJ A1 E1 FV1 OQ, (3?,5?)-3-Hydroxy-pregnan-20-one, 3?,5?-Pregnanolone, 5-beta-Pregnan-20-one, 3-alpha-hydroxy-, Pregnan-20-one, 3-hydroxy-, (3a,5b)-, ELTANOLONE [MART.], SCHEMBL56664, Pregnanolone, (3beta)-isomer, Pregnanolone, (3alpha)-isomer, Pregnanolone, (5alpha)-isomer, CHEMBL210952, 3.alpha.,5.beta.-Pregnanolone, 3a-Hydroxy-5b-pregnan-20-one, GTPL11534, Tox21_112042, (3a,5b)-3-Hydroxypregnan-20-one, LMST02030175, Pregnanolone, (3beta, 5beta)-isomer, Pregnanolone, (3alpha,5alpha)-isomer, Pregnanolone, (3beta, 5alpha)-isomer, DB12308, FP27148, 3|_-Hydroxy-5|_-tetrahydroprogesterone, 5 beta -Pregnan-3 alpha -ol-20-one, 5.beta.-Pregnan-3.alpha.-ol-20-one, 1-((3R,5R,8R,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethan-1-one, CAS-128-20-1, Pregnan-20-one, (3.alpha.,5.beta.)-, (3alpha,5beta)-3-Hydroxy-pregnan-20-one, 3-Deoxo-3?-hydroxy-5?-dihydroprogesterone, PREGNAN-3.ALPHA.-OL-20-ONE [MI], Pregnanolone, (3beta, 5beta,14beta)-isomer, C05480, G77796, Pregnan-20-one, 3-hydroxy-, (3|A,5|A)-, Pregnanolone, (3beta, 5beta, 17alpha)-isomer, Pregnanolone, (3beta, 5alpha, 17alpha)-isomer, 3-Hydroxypregnan-20-one, (3.alpha.,5.beta.)-, Pregnanolone, (3alpha, 5beta, 17-alpha)-isomer, Q18344323, Pregnanolone, (3beta, 5alpha, 8alpha, 17beta)-isomer, 1-((3R,5R,8R,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone, 110350-90-8
Theoretical properties:
molecular_formula: C21H34O2
molecular_weight: 318.5 g/mol
exact_mass: 318.255880323 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 1
heavy_atom_count: 23
topological_polar_surface_area: 37.3 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: 3alpha-hydroxy-5beta-pregnan-20-one is the 3alpha-stereoisomer of 3-hydroxy-5beta-pregnan-20-one. It has a role as a sedative, an intravenous anaesthetic and a human metabolite. It is a 3alpha-hydroxy steroid and a 3-hydroxy-5beta-pregnan-20-one.
chebi: The 3α-stereoisomer of 3-hydroxy-5β-pregnan-20-one.
chembl: ELTANOLONE is a small molecule listed in the ChEMBL database and has reached clinical trial phase 2.0.
wikipedia: Pregnanolone, also known as eltanolone, is an endogenous inhibitory neurosteroid which is produced in the body from progesterone. It is closely related to allopregnanolone, which has similar properties.