Hybromet
2-(11,15-dimethoxy-5-methyl-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11,18-tetraen-16-yl)-4-[4-(2-methoxypropoxy)phenyl]butan-2-ol;mercury(2+);bromide
Also Known As: Hybromet|2-(11,15-Dimethoxy-5-methyl-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11,18-tetraen-16-yl)-4-[4-(2-methoxypropoxy)phenyl]butan-2-ol;mercury(2+);bromide|Mercury, bromo(3-(4-(3-((5alpha,7alpha)-4,5-epoxy-3,6-dimethoxy-17-methyl-6,14-ethenomorphinan-7-yl)-(3R)-3-hydroxybutyl)phenoxy)-2-methoxypropyl)-|(1-Hydroxy-1-methyl-3-(4-(3-(bromomercurio)-2-methoxypropoxy)phenyl)propyl)-6,14-endo-ethenotetrahydrothebaine
| Molecular Formula | C35H45BrHgNO6+ |
|---|---|
| Molecular Weight | 856.2137 g/mol |
| LogP | 1.7145 |
| Topological Polar Surface Area | 69.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 856.2137 |
| Monoisotopic Mass | 856.2137 |
| Heavy Atoms | 44 |
| Complexity | 1030.0 |
Chemical Identifiers
| CAS Number | 95461-73-7 |
|---|---|
| SMILES | CC(COC1=CC=C(C=C1)CCC(C)(C2CC34C=CC2(C5C36CCN(C4CC7=C6C(=C(C=C7)OC)O5)C)OC)O)OC.[Br-].[Hg+2] |
| InChIKey | CLJCCYBXXQEZBO-UHFFFAOYSA-M |
Product Overview
Hybromet (CAS 95461-73-7), with molecular formula C35H45BrHgNO6+ and molecular weight 856.2137 g/mol. IUPAC: 2-(11,15-dimethoxy-5-methyl-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11,18-tetraen-16-yl)-4-[4-(2-methoxypropoxy)phenyl]butan-2-ol;mercury(2+);bromide.
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