N-Methylnalorphine
(4R,7S,7aR,12bS)-3-methyl-3-prop-2-enyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-7,9-diol
Also Known As: N-Methylnalorphine|SID:134224461|(4R,7S,7aR,12bS)-3-methyl-3-prop-2-enyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-7,9-diol|Morphinanium, 7,8-didehydro-4,5-epoxy-3,6-dihydroxy-17-methyl-17-(2-propenyl)-, (5alpha,6alpha)-|3,6-Dihydroxy-17-methyl-17-(prop-2-en-1-yl)-7,8-didehydro-4,5-epoxymorphinan-17-ium|(4R,7S,7aR,12bS)-3-methyl-3-prop-2-enyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-3-ium-7,9-diol|3,6alpha-Dihydroxy-17-methyl-17-(prop-2-en-1-yl)-5alpha-7,8-didehydro-4,5-epoxymorphinan-17-ium
| Molecular Formula | C20H24NO3+ |
|---|---|
| Molecular Weight | 326.17563 g/mol |
| LogP | 1.8989 |
| Topological Polar Surface Area | 49.69 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 326.17563 |
| Monoisotopic Mass | 326.17563 |
| Heavy Atoms | 24 |
| Complexity | 772.39264 |
Chemical Identifiers
| CAS Number | 4121-75-9 |
|---|---|
| SMILES | C[N+]1(CC[C@]23[C@@H]4[C@H](C=CC2[C@H]1CC5=C3C(=C(C=C5)O)O4)O)CC=C |
Product Overview
N-Methylnalorphine (CAS 4121-75-9), with molecular formula C20H24NO3+ and molecular weight 326.17563 g/mol. IUPAC: (4R,7S,7aR,12bS)-3-methyl-3-prop-2-enyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-7,9-diol.