Nicocodine
[(4R,4aR,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] pyridine-3-carboxylate
Also Known As: Lyopect|Nicocodeine|Nicocodina|Nicocodinum|6-Nicotinoylcodeine|Nicocodin|Codeine nicotinate|nicocodine HCl|Nicocodine (INN)|Nicocodinum [INN-Latin]|Nicocodina [INN-Spanish]|DEA No. 9309|Codeine, nicotinate (ester)|Nicocodine hydrochloride|Nicocodine [INN:BAN:DCF]|RC 146|NICOCODINE [INN]|NICOCODINE [MART.]|IDS-NN-001(SECT.2)|NICOCODINE [WHO-DD]|Nicotinic acid, ester with codeine|Nicocodine [BAN:DCF:INN]|EINECS 222-990-5|RC-146|Nicocodine (1 mg/mL in Acetonitrile)|Nicocodine (1.0 mg/mL in Acetonitrile)|nicocodine monohydrochloride, (5alpha,6alpha)-|4,5-Epoxy-3-methoxy-9a-methyl-7-morphinen-6alpha-yl nicotinat|4,5alpha-Epoxy-3-methoxy-9alpha-methyl-7-morphinen-6alpha-yl nicotinat
| Molecular Formula | C24H24N2O4 |
|---|---|
| Molecular Weight | 404.1736 g/mol |
| LogP | 2.7608 |
| Topological Polar Surface Area | 60.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 404.1736 |
| Monoisotopic Mass | 404.1736 |
| Heavy Atoms | 30 |
| Complexity | 1052.6715 |
Chemical Identifiers
| CAS Number | 3688-66-2 |
|---|---|
| SMILES | CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)OC(=O)C6=CN=CC=C6 |
Product Overview
Nicocodine (CAS 3688-66-2), with molecular formula C24H24N2O4 and molecular weight 404.1736 g/mol. IUPAC: [(4R,4aR,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] pyridine-3-carboxylate.
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