Compound: Thebacon
SMILES: O=C(OC1=CC[C@H]2[C@@H]3N(C)CC[C@@]42[C@H]1Oc5c(OC)ccc(c45)C3)C
InChIKey: RRJQTGHQFYTZOW-ILWKUFEGSA-N
Synonyms: Thebacon, Tebacon, Acetyldihydrocodeinone, Thebacone, Acedikon, Tebacona, Tebacone, Thebaconum, Dihydrocodeinone enol acetate, Acedikon [Czech], 466-90-0, Tebacone [DCIT], Acetyldihydrokodeinon, Acetyldemethyldihydrothebaine, DEA No. 9315, Tebacona [INN-Spanish], Thebacone [INN-French], Thebaconum [INN-Latin], Thebacon [INN:BAN:DCF], Acedicon, Thebacon (INN), Acetyldihydrokodeinon [Czech], UNII-520D430GDK, IDS-NT-001, 520D430GDK, THEBACON [INN], THEBACON [MI], Thebaine, demethyldihydro-, acetate, EINECS 207-377-2, THEBACON [WHO-DD], NSC 117860, NSC-117860, BRN 0056871, DTXSID90891944, 4-27-00-02218 (Beilstein Handbook Reference), Demethyldihydrothebaine, acetate, Acetyldihydrochodeinone, Tebacona (INN-Spanish), Thebacone (INN-French), Thebaconum (INN-Latin), Demethyldihydrothebaine acetate (ester), MORPHINAN-6-OL, 6,7-DIDEHYDRO-4,5-alpha-EPOXY-3-METHOXY-17-METHYL-, ACETATE, Morphinan-6-ol, 6,7-didehydro-4,5-epoxy-3-methoxy-17-methyl-, 6-acetate, (5.alpha.)-, Morphinan-6-ol, 6,7-didehydro-4,5-epoxy-3-methoxy-17-methyl-, acetate (ester), (5alpha)-, Morphinan-6-ol, 6,7-didehydro-4,5alpha-epoxy-3-methoxy-17-methyl-, acetate (ester), ((4R,4aR,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,5,7a,13-hexahydro-1H-4,12-methanobenzofuro(3,2-e)isoquinolin-7-yl) acetate, (1S,5R,13R,17R)-10-methoxy-4-methyl-12-oxa-4-azapentacyclo(9.6.1.0^(1,13).0^(5,17).0^(7,18))octadeca-7,9,11(18),14-tetraen-14-yl acetate, (1S,5R,13R,17R)-10-methoxy-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7,9,11(18),14-tetraen-14-yl acetate, (9-methoxy-3-methyl-2,4,4a,5,7a,13-hexahydro-1H-4,12-methanobenzofuro(3,2-e)isoquinolin-7-yl) acetate, (9-methoxy-3-methyl-2,4,4a,5,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl) acetate, [(4R,4aR,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,5,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] acetate, 10-Methoxy-4-methyl-12-oxa-4-azapentacyclo(9.6.1.0,.0,.0,)octadeca-7(18),8,10,14-tetraen-14-yl acetic acid, 10-Methoxy-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0,.0,.0,]octadeca-7(18),8,10,14-tetraen-14-yl acetic acid, Thebaine, demethyldihydro-, acetate (ester), RefChem:189142, 3-Methoxy-N-methyl-4,5-epoxymorphin-6-en-6-yl acetate, Morphinan-6-ol, 6,7-didehydro-4,5-epoxy-3-methoxy-17-methyl-, acetate, (5.alpha.)-, Morphinan-6-ol, 6,7-didehydro-4,5.alpha.-epoxy-3-methoxy-17-methyl-, acetate (ester), Morphinan-6-ol, 6,7-didehydro-4,5.alpha.-epoxy-3-methoxy-17-methyl-,acetate, DTXCID601031456, Morphinan-6-ol, 6,7-didehydro-4,5-epoxy-3-methoxy-17-methyl-, acetate (ester), (5.alpha.)-, Morphinan-6-ol, 6,7-didehydro-4,5alpha-epoxy-3-methoxy-17-methyl-,acetate, Morphinan-6-ol, 6,7-didehydro-4,5-epoxy-3-methoxy-17-methyl-, acetate, (5alpha)-, Morphinan-6-ol, 6,7-didehydro-4,5alpha-epoxy-3-methoxy-17-methyl-, acetate (ester) (8CI), 207-377-2, MORPHINAN-6-OL, 6,7-DIDEHYDRO-4,5-EPOXY-3-METHOXY-17-METHYL-, 6-ACETATE, (5ALPHA)-, Morphinan-6-ol, 6,7-didehydro-4,5-epoxy-3-methoxy-17-methyl-, acetate (ester), (5alpha)-(9CI), RRJQTGHQFYTZOW-UHFFFAOYSA-N, Thebacetyl, SCHEMBL25766, CHEMBL2104751, SCHEMBL29632752, CHEBI:135449, RRJQTGHQFYTZOW-ILWKUFEGSA-N, DB13458, D07386, Q2787672, 3-Methoxy-17-methyl-5alpha-6,7-didehydro-4,5-epoxymorphinan-6-yl acetate, Thebacon; Morphinan-6-ol, 6,7-didehydro-4,5-epoxy-3-methoxy-17-methyl-, 6-acetate, (5a)-; Morphinan-6-ol, 6,7-didehydro-4,5-epoxy-3-methoxy-17-methyl-, acetate (ester), (5a)- (9CI); Morphinan-6-ol, 6,7-didehydro-4,5a-epoxy-3-methoxy-17-methyl-, acetate (ester) (8CI
Theoretical properties:
molecular_formula: C20H23NO4
molecular_weight: 341.4 g/mol
exact_mass: 341.16270821 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 5
rotatable_bond_count: 3
heavy_atom_count: 25
topological_polar_surface_area: 48 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Thebacon is a morphinane alkaloid.
chembl: THEBACON is a small molecule listed in the ChEMBL database and has reached clinical trial phase 2.0.
wikipedia: Thebacon (INN; pronounced ), or dihydrocodeinone enol acetate, is a semisynthetic opioid that is similar to hydrocodone and is most commonly synthesised from thebaine. Thebacon was invented in Germany in 1924, four years after the first synthesis of hydrocodone. Thebacon is a derivative of acetyldihydrocodeine, where only the 6–7 double bond is saturated. Thebacon is marketed as its hydrochloride salt under the trade name Acedicon, and as its bitartrate under Diacodin and other trade names. The hydrochloride salt has a free base conversion ratio of 0.846. Other salts used in research and other settings include thebacon's phosphate, hydrobromide, citrate, hydroiodide, and sulfate.