Asocainol
4,16-dimethoxy-10-methyl-9-(2-phenylethyl)-10-azatricyclo[11.4.0.02,7]heptadeca-1(13),2(7),3,5,14,16-hexaen-3-ol
| Molecular Formula | C27H31NO3 |
|---|---|
| Molecular Weight | 417.5 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 41.9 A2 |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 417.2304 |
| Heavy Atoms | 31 |
| Complexity | 537.0 |
Chemical Identifiers
| CAS Number | 77400-65-8 |
|---|---|
| SMILES | CN1CCC2=C(C=C(C=C2)OC)C3=C(CC1CCC4=CC=CC=C4)C=CC(=C3O)OC |
| InChIKey | IORHSKBXWWSQME-UHFFFAOYSA-N |
📖 Product Overview
Asocainol (CAS: 77400-65-8) is a chemical compound with molecular formula C27H31NO3 and molecular weight 417.5 g/mol. Its IUPAC systematic name is 4,16-dimethoxy-10-methyl-9-(2-phenylethyl)-10-azatricyclo[11.4.0.02,7]heptadeca-1(13),2(7),3,5,14,16-hexaen-3-ol.
IORHSKBXWWSQME-UHFFFAOYSA-N.
SMILES: CN1CCC2=C(C=C(C=C2)OC)C3=C(CC1CCC4=CC=CC=C4)C=CC(=C3O)OC.
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