Isocyclocelabenzine
8-phenyl-1,5,9-triazatricyclo[10.7.1.013,18]icosa-13,15,17-triene-6,19-dione
Also Known As: ISOCYCLOCELABENZINE|9-Phenyl-3,4,5,6,8,9,10,11,12,13-decahydro-2,13-methano-2,6,10-benzotriazacyclopentadecine-1,7-dione
CAS: 70503-72-9
| Molecular Formula | C23H27N3O2 |
|---|---|
| Molecular Weight | 377.21033 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 61.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 377.21033 |
| Monoisotopic Mass | 377.21033 |
| Heavy Atoms | 28 |
| Complexity | 546.0 |
Chemical Identifiers
| CAS Number | 70503-72-9 |
|---|---|
| SMILES | C1CNC(=O)CC(NCCC2CN(C1)C(=O)C3=CC=CC=C23)C4=CC=CC=C4 |
| InChIKey | YLOOKVSZLSAFTR-UHFFFAOYSA-N |
Product Overview
Isocyclocelabenzine (CAS 70503-72-9), with molecular formula C23H27N3O2 and molecular weight 377.21033 g/mol. IUPAC: 8-phenyl-1,5,9-triazatricyclo[10.7.1.013,18]icosa-13,15,17-triene-6,19-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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