Cephaeline

Chemical Information
Cephaeline is a pyridoisoquinoline comprising emetam having a hydroxy group at the 6'-position and methoxy substituents at the 7'-, 10- and 11-positions. It is a conjugate base of a cephaeline(2+). It derives from a hydride of an emetan.
| CAS Number | 483-17-0 |
| PubChem CID | 442195 |
| IUPAC Name | (1R)-1-[[(2S,3R,11bS)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methyl]-7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-ol |
| Molecular Formula | C28H38N2O4 |
| Molecular Weight | 466.6 |
| XLogP | 4.4 |
| Topological Polar Surface Area | 63.2 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 6 |
| Heavy Atom Count | 34 |
| Formal Charge | 0 |
| Complexity | 664 |
| Property | Value |
|---|---|
| Molecular Weight | 466.6 |
| XLogP3 | 4.4 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 6 |
| Exact Mass | 466.28315770 |
| Monoisotopic Mass | 466.28315770 |
| Topological Polar Surface Area | 63.2 Ų |
| Heavy Atom Count | 34 |
| Formal Charge | 0 |
| Complexity | 664 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 4 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
Related Products
| Catalog | Name |
|---|---|
| M35012-01 | Glycerophospholipids, cephalins |
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