Squalamine
[(3R,6R)-6-[(3S,5R,7R,8R,9S,10S,13R,14S,17R)-3-[3-(4-aminobutylamino)propylamino]-7-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptan-3-yl] hydrogen sulfate
| Molecular Formula | C34H65N3O5S |
|---|---|
| Molecular Weight | 628.0 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 142.0 A2 |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 16 |
| Exact Mass | 627.4645 |
| Heavy Atoms | 43 |
| Complexity | 976.0 |
Chemical Identifiers
| CAS Number | 148717-90-2 |
|---|---|
| SMILES | CC(C)C(CCC(C)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)NCCCNCCCCN)C)O)C)OS(=O)(=O)O |
| InChIKey | UIRKNQLZZXALBI-MSVGPLKSSA-N |
📖 Product Overview
Squalamine (CAS: 148717-90-2) is a chemical compound with molecular formula C34H65N3O5S and molecular weight 628.0 g/mol. Its IUPAC systematic name is [(3R,6R)-6-[(3S,5R,7R,8R,9S,10S,13R,14S,17R)-3-[3-(4-aminobutylamino)propylamino]-7-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptan-3-yl] hydrogen sulfate.
UIRKNQLZZXALBI-MSVGPLKSSA-N.
SMILES: CC(C)C(CCC(C)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)NCCCNCCCCN)C)O)C)OS(=O)(=O)O.
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