Morphine methiodide | SBID = 650 | Compound |
Structure
Molecular Properties
| Interactions: | 3 | ||
| PubChem TPSA/Å2: | 49.7 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | |||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 2.0 | ||
| Number of H-Bond Acceptors: | 4.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 5.0 | ||
| 3D Volume/Å3: | |||
| Sum Formula: | C18H22INO3 | ||
| M / g/mol: | 427.3 | ||
| Complexity: | 532.0 | ||
| Number of Conformers: | 0.0 |
Identifiers
- Tags: typical guest, charged
- Name: Morphine methiodide
- Preferred Abbreviation: Morphine methiodide
- IUPAC Name: (4aR,7S,7aR,12bS)-3,3-dimethyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-7,9-diol;iodide
- CAS: 14054-17-2
- CID: 166993
- InChiKey: AJQDRZKRPDONTA-RUYLODGDSA-N
- InChi: InChI=1S/C18H21NO3.HI/c1-19(2)8-7-18-11-4-6-14(21)17(18)22-16-13(20)5-3-10(15(16)18)9-12(11)19;/h3-6,11-12,14,17,21H,7-9H2,1-2H3;1H/t11-,12?,14-,17-,18-;/m0./s1
- CanoSmiles: C[N+]1(CCC23C4C1CC5=C2C(=C(C=C5)O)OC3C(C=C4)O)C.[I-]
- IsoSmiles: C[N+]1(CC[C@]23[C@@H]4C1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O)C.[I-]
