Isostrychnopentamine
(2S,3R,12bS)-3-ethenyl-11-(1-methylpyrrolidin-2-yl)-2-[[(1S)-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]methyl]-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-10-ol
Also Known As: Isostrychnopentamine|KST-1A8226|(2S,3R,12bS)-3-ethenyl-11-(1-methylpyrrolidin-2-yl)-2-[[(1S)-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]methyl]-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-10-ol|(2s,3r,12bs)-3-ethenyl-11-(1-methylpyrrolidin-2-yl)-2-{[(1s)-2-methyl-2,3,4,9-tetrahydro-1h-|A-carbolin-1-yl]methyl}-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-10-ol|(2S,3R,12bS)-3-ethenyl-11-(1-methylpyrrolidin-2-yl)-2-(((1S)-2-methyl-1,3,4,9-tetrahydropyrido(3,4-b)indol-1-yl)methyl)-1,2,3,4,6,7,12,12b-octahydroindolo(2,3-a)quinolizin-10-ol|Indolo(2,3-a)quinolizin-10-ol, 3-ethenyl-1,2,3,4,6,7,12,12b-octahydro-11-((2S)-1-methyl-2-pyrrolidinyl))-2-(((1S)-2,3,4,9-tetrahydro-2-methyl-1H-pyrido(3,4-b)indol-1-yl)methyl)-, (2S,3R,12bS)-
| Molecular Formula | C35H43N5O |
|---|---|
| Molecular Weight | 549.34674 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 61.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 549.34674 |
| Monoisotopic Mass | 549.34674 |
| Heavy Atoms | 41 |
| Complexity | 961.0 |
Chemical Identifiers
| CAS Number | 78433-52-0 |
|---|---|
| SMILES | CN1CCC2=C([C@@H]1C[C@H]3C[C@H]4C5=C(CCN4C[C@@H]3C=C)C6=C(N5)C(=C(C=C6)O)C7CCCN7C)NC8=CC=CC=C28 |
| InChIKey | PHLJPJICTIGOKC-ZTJUTDRQSA-N |
Product Overview
Isostrychnopentamine (CAS 78433-52-0), with molecular formula C35H43N5O and molecular weight 549.34674 g/mol. IUPAC: (2S,3R,12bS)-3-ethenyl-11-(1-methylpyrrolidin-2-yl)-2-[[(1S)-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]methyl]-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-10-ol.