Caesalpinine A
13-[hydroxy(phenyl)methyl]-7-phenyl-1,6,10-triazabicyclo[10.2.1]pentadecane-9,14-dione
Also Known As: Caesalpinine A|9-Hydroxy-13-[hydroxy(phenyl)methyl]-7-phenyl-1,6,10-triazabicyclo[10.2.1]pentadec-9-en-14-one|13-[hydroxy(phenyl)methyl]-7-phenyl-1,6,10-triazabicyclo[10.2.1]pentadecane-9,14-dione
CAS: 85702-14-3
| Molecular Formula | C25H31N3O3 |
|---|---|
| Molecular Weight | 421.23654 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 421.23654 |
| Monoisotopic Mass | 421.23654 |
| Heavy Atoms | 31 |
| Complexity | 601.0 |
Chemical Identifiers
| CAS Number | 85702-14-3 |
|---|---|
| SMILES | C1CCN2CC(CNC(=O)CC(NC1)C3=CC=CC=C3)C(C2=O)C(C4=CC=CC=C4)O |
| InChIKey | SHBCCFGHZDXOET-UHFFFAOYSA-N |
Product Overview
Caesalpinine A (CAS 85702-14-3), with molecular formula C25H31N3O3 and molecular weight 421.23654 g/mol. IUPAC: 13-[hydroxy(phenyl)methyl]-7-phenyl-1,6,10-triazabicyclo[10.2.1]pentadecane-9,14-dione.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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