Spiguetidine
11-methyl-3,5-dioxa-11,13-diazapentacyclo[10.8.1.02,6.08,21.015,20]henicosa-1(21),2(6),7,13,15(20),16,18-heptaen-17-ol
Also Known As: Spiguetidine|7-Methyl-5,6,7,7a-tetrahydro-2H-[1,3]dioxolo[6,7]isoquinolino[1,8-cd][2]benzazepin-11-ol
CAS: 112494-57-2
| Molecular Formula | C18H16N2O3 |
|---|---|
| Molecular Weight | 308.1161 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 54.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 308.1161 |
| Monoisotopic Mass | 308.1161 |
| Heavy Atoms | 23 |
| Complexity | 499.0 |
Chemical Identifiers
| CAS Number | 112494-57-2 |
|---|---|
| SMILES | CN1CCC2=CC3=C(C4=C2C1N=CC5=C4C=CC(=C5)O)OCO3 |
| InChIKey | FHIDFFNXBQHJEV-UHFFFAOYSA-N |
Product Overview
Spiguetidine (CAS 112494-57-2), with molecular formula C18H16N2O3 and molecular weight 308.1161 g/mol. IUPAC: 11-methyl-3,5-dioxa-11,13-diazapentacyclo[10.8.1.02,6.08,21.015,20]henicosa-1(21),2(6),7,13,15(20),16,18-heptaen-17-ol.
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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