Dihydrocodeine
PubChem CID: 5284543
Connections displayed (default: 10).
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| Compound Synonyms | DIHYDROCODEINE, Novicondin, Rapacodin, Codhydrine, Dehacodin, 8,14-Dihydroneopine, Dihidrocodeina, Dihydroneopine, Hydrocodeine, Novicodin, Cohydrin, Nadeine, 125-28-0, alpha-Hydrocodol, 6alpha-Hydrocodol, 6-alpha-Hydrocodol, Dihydrocodeinum, Dihydrokodein, Diidrocodeina, Remedacen, Dihydrocodeine [INN], Dihydrokodein [Czech], Diidrocodeina [DCIT], Hydrocodin, Drocode, Paracodin, DH-codeine, Codeine, 7,8-dihydro-, .alpha.-Hydrocodol, Dihydrocodeine [INN:BAN], Dihydrocodeinum [INN-Latin], Paracodine, Didrate, Dihidrocodeina [INN-Spanish], (-)-Dihydrocodeine, Paracodeine, Dicogesic, EINECS 204-732-3, 7,8-Dihydrocodeine, Remedacen (TN), UNII-N9I9HDB855, Parzone, NSC 231319, N9I9HDB855, Dihydrocodeine (INN), IDS-ND-008(SECT.2), DIHYDROCODEINE [MI], NSC-231319, DIHYDROCODEINE [VANDF], 3-Methoxy-12-methyl-5,6,7,7a,8,9-hexahydro-4aH-8,9c-iminoethanophenanthro(4,5-bcd)furan-5-ol, DIHYDROCODEINE [MART.], DIHYDROCODEINE [WHO-DD], DTXSID5022936, DF-118, DHCplus (Salt/Mix), Morphinan-6alpha-ol, 4,5alpha-epoxy-3-methoxy-17-methyl-, Morphinan-6-alpha-ol, 4,5-alpha-epoxy-3-methoxy-17-methyl-, Paracodin (TN), Synalgos-DC (Salt/Mix), Morphinan-6-ol, 4,5-epoxy-3-methoxy-17-methyl-, (5alpha,6alpha)-, 6-Hydroxy-3-methoxy-N-methyl-4,5-epoxymorphinan, Dihydrocodeinum (INN-Latin), (4R,4aR,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol, Dihidrocodeina (INN-Spanish), DIHYDROCODEINE (MART.), MORPHINAN-6-OL, 4,5-EPOXY-3-METHOXY-17-METHYL-, 4,5.alpha.-Epoxy-3-methoxy-17-methylmorphinan-6.alpha.-ol, HYDROCODONE HYDROGEN TARTRATE 2.5-HYDRATE IMPURITY B [EP IMPURITY], (4R,4aR,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-ol, dihydrocodein, Dihydrocodeine bitartrate (Salt/Mix), DEA No. 9120, HYDROCODONE HYDROGEN TARTRATE 2.5-HYDRATE IMPURITY B (EP IMPURITY), Dihydrocodeine Acid, (4R,4aR,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro(3,2-e)isoquinolin-7-ol, (4R,4aR,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro(3,2-e)isoquinoline-7-ol, CHEMBL1595, SCHEMBL24607, DTXCID302936, GTPL7594, Morphinan-6-ol, 4,5-epoxy-3-methoxy-17-methyl-, (5.alpha.,6.alpha.)-, N02AA08, 4,5.alpha.-Epoxy-3-methoxy-17-methylmorphinan-6.alpha.-ol (+)-tartrate (salt) (Salt/Mix), CHEBI:135276, Morphinan-6-ol, 4,5-epoxy-3-methoxy-17-methyl-, (5.alpha.,6.alpha.)-2,3-dihydroxybutanedioate (1:1) (salt) (Salt/Mix), DB01551, NS00009704, D07831, Q377270, 4,5alpha-Epoxy-3-methoxy-17-methylmorphinan-6alpha-ol, Morphinan-6-ol, 4,5-epoxy-3-methoxy-17-methyl-, (5?,6?)-, (5alpha,6alpha)-17-methyl-3-(methyloxy)-4,5-epoxymorphinan-6-ol, 4,5alpha-Epoxy-3-methoxy-17-methylmorphinan-6alpha-ol (+)-tartrate (salt) (Salt/Mix), (4R,4aR,7S,7aR,12bS)-9-methoxy-3-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol, 204-732-3, Morphinan-6-ol, 4,5-epoxy-3-methoxy-17-methyl-, (5alpha,6alpha)-2,3-dihydroxybutanedioate (1:1) (salt) (Salt/Mix) |
|---|---|
| Topological Polar Surface Area | 41.9 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 471.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | (4R,4aR,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol |
| Prediction Hob | 1.0 |
| Xlogp | 2.2 |
| Molecular Formula | C18H23NO3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | RBOXVHNMENFORY-DNJOTXNNSA-N |
| Fcsp3 | 0.6666666666666666 |
| Logs | -2.301 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.51 |
| Compound Name | Dihydrocodeine |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 301.168 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 301.168 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 301.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.2052113818181813 |
| Inchi | InChI=1S/C18H23NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3,6,11-13,17,20H,4-5,7-9H2,1-2H3/t11-,12+,13-,17-,18-/m0/s1 |
| Smiles | CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](CC4)O |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aloe Microstigma (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Chrozophora Prostrata (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Papaver Somniferum (Plant) Rel Props:Source_db:cmaup_ingredients