Codeine aminoxyde
PubChem CID: 19073920
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| Compound Synonyms | Codeine-N-oxide, CODEINE N-OXIDE, Codeine aminoxyde, DTXSID20863250, 9-Methoxy-3-methyl-3-oxo-2,3,4,4a,7,7a-hexahydro-1H-4,12-methano-3lambda~5~-[1]benzofuro[3,2-e]isoquinolin-7-ol |
|---|---|
| Topological Polar Surface Area | 56.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 23.0 |
| Description | Alkaloid from Papaver somniferum (opium poppy). Codeine N-oxide is found in opium poppy. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 553.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 9-methoxy-3-methyl-3-oxido-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-7-ol |
| Nih Violation | False |
| Class | Morphinans |
| Xlogp | 0.6 |
| Superclass | Alkaloids and derivatives |
| Is Pains | False |
| Molecular Formula | C18H21NO4 |
| Inchi Key | BDLSDHWCOJPHIE-UHFFFAOYSA-N |
| Rotatable Bond Count | 1.0 |
| State | Solid |
| Synonyms | Codeigene, Codeine aminoxyde, Codeine N-oxide, Codeine-n-oxide, Genocodein, Genocodeine, Codeine-N-oxide |
| Compound Name | Codeine aminoxyde |
| Kingdom | Organic compounds |
| Exact Mass | 315.147 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 315.147 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 315.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 6.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Inchi | InChI=1S/C18H21NO4/c1-19(21)8-7-18-11-4-5-13(20)17(18)23-16-14(22-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3 |
| Smiles | C[N+]1(CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(C=C4)O)[O-] |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Morphinans |
- 1. Outgoing r'ship
FOUND_INto/from Papaver Somniferum (Plant) Rel Props:Source_db:fooddb_chem_all