Norcodeine
PubChem CID: 9925873
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| Compound Synonyms | Norcodeine, N-Desmethylcodeine, 467-15-2, Norcodeina, N-Demethylcodeine, Norcodeinum, (-)-N-Norcodeine, Normorphine 3-methyl ether, 3-o-methylnormorphine, Norcodeine [INN:BAN], Norcodeinum [INN-Latin], Norcodeina [INN-Spanish], UNII-32W9P3T4ML, 32W9P3T4ML, DTXSID8046327, CHEBI:80579, NORCODEINE [MI], NORCODEINE [INN], EINECS 207-388-2, DTXCID6026327, IDS-NN-005(SECT.2), 7,8-Didehydro-4,5-alpha-epoxy-3-methoxymorphinan-6-alpha-ol, Norcodeinum (INN-Latin), Norcodeina (INN-Spanish), (4R,4aR,7S,7aR,12bS)-9-methoxy-1,2,3,4,4a,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol, CODEINE MONOHYDRATE IMPURITY H [EP IMPURITY], 3-methoxy-7,8-didehydro-4,5alpha-epoxymorphinan-6alpha-ol, CODEINE PHOSPHATE HEMIHYDRATE IMPURITY H [EP IMPURITY], CODEINE HYDROCHLORIDE DIHYDRATE IMPURITY H [EP IMPURITY], Morphinan-6-alpha-ol, 7,8-didehydro-4,5-alpha-epoxy-3-methoxy-, Morphinan-6-ol, 7,8-didehydro-4,5-epoxy-3-methoxy-, (5-alpha,6-alpha)-, (-)-Norcodeine, CODEINE MONOHYDRATE IMPURITY H (EP IMPURITY), CODEINE HYDROCHLORIDE DIHYDRATE IMPURITY H (EP IMPURITY), CODEINE PHOSPHATE HEMIHYDRATE IMPURITY H (EP IMPURITY), Morphinan-6-ol, 7,8-didehydro-4,5-epoxy-3-methoxy-, (5.alpha.,6.alpha.)-, NCGC00163182-01, (4R,4aR,7S,7aR,12bS)-9-methoxy-1,2,3,4,4a,7,7a,13-octahydro-4,12-methanobenzofuro(3,2-e)isoquinolin-7-ol, (4R,4aR,7S,7aR,12bS)-9-methoxy-1,2,3,4,4a,7,7a,13-octahydro-4,12-methanobenzofuro(3,2-e)isoquinoline-7-ol, (4R,4aR,7S,7aR,12bS)-9-methoxy-1,2,3,4,4a,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-7-ol, SCHEMBL120270, 7,8-Didehydro-4,5-.alpha.-epoxy-3-methoxymorphinan-6-.alpha.-ol, Morphinan-6.alpha.-ol, 7,8-didehydro-4,5.alpha.-epoxy-3-methoxy-, Norcodeine (N-desmethylcodeine), Norcodeine, 1mg/ml in Methanol, (5.alpha.,6.alpha.)-7,8-Didehydro-4,5-epoxy-3-methoxymorphinan-6-ol, CHEMBL1908321, HKOIXWVRNLGFOR-KOFBORESSA-N, BDBM224030, Norcodeine 1.0 mg/ml in Methanol, (4R,12bS)-9-methoxy-1,2,3,4,4a,7,7a,13-octahydro-4,12-methanobenzofuro(3,2-e)isoquinoline-7-ol, (4R,12bS)-9-methoxy-1,2,3,4,4a,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-7-ol, Norcodeine (stereochemistry defined), Tox21_112027, NCGC00186625-01, AS-17006, CAS-467-15-2, NS00009228, Q4327388, Morphinan-6alpha-ol, 7,8-didehydro-4,5alpha-epoxy-3-methoxy-, (5alpha,6alpha)-7,8-Didehydro-4,5-epoxy-3-methoxymorphinan-6-ol, Morphinan-6-ol, 7,8-didehydro-4,5-epoxy-3-methoxy-, (5alpha,6alpha)-, Morphinan-6-ol, 7,8-didehydro-4,5-epoxy-3-methoxy-, (5-alpha,6-alpha)-(9CI), 207-388-2 |
|---|---|
| Topological Polar Surface Area | 50.7 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 481.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Uniprot Id | P16662, Q9NUW8, n.a. |
| Iupac Name | (4R,4aR,7S,7aR,12bS)-9-methoxy-1,2,3,4,4a,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol |
| Prediction Hob | 1.0 |
| Xlogp | 0.7 |
| Molecular Formula | C17H19NO3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | HKOIXWVRNLGFOR-KOFBORESSA-N |
| Fcsp3 | 0.5294117647058824 |
| Logs | -2.051 |
| Rotatable Bond Count | 1.0 |
| Logd | 0.921 |
| Compound Name | Norcodeine |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 285.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 285.136 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 285.34 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.189255171428571 |
| Inchi | InChI=1S/C17H19NO3/c1-20-13-5-2-9-8-11-10-3-4-12(19)16-17(10,6-7-18-11)14(9)15(13)21-16/h2-5,10-12,16,18-19H,6-8H2,1H3/t10-,11+,12-,16-,17-/m0/s1 |
| Smiles | COC1=C2C3=C(C[C@@H]4[C@H]5[C@]3(CCN4)[C@@H](O2)[C@H](C=C5)O)C=C1 |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Papaver Somniferum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all