Catharanthine

Chemical Information
Catharanthine is an organic heteropentacyclic compound and monoterpenoid indole alkaloid produced by the medicinal plant Catharanthus roseus via strictosidine. It is a methyl ester, a bridged compound, an organic heteropentacyclic compound, an alkaloid ester, a tertiary amino compound and a monoterpenoid indole alkaloid. It is a conjugate base of a catharanthine(1+).
| CAS Number | 2468-21-5 |
| PubChem CID | 5458190 |
| IUPAC Name | methyl (1R,15R,18R)-17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8,16-pentaene-1-carboxylate |
| Molecular Formula | C21H24N2O2 |
| Molecular Weight | 336.4 |
| XLogP | 2.8 |
| Topological Polar Surface Area | 45.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 603 |
| Property | Value |
|---|---|
| Molecular Weight | 336.4 |
| XLogP3 | 2.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 336.183778013 |
| Monoisotopic Mass | 336.183778013 |
| Topological Polar Surface Area | 45.3 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 603 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 3 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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