Setiptiline (maleate)
but-2-enedioic acid;4-methyl-4-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),8,10,12,15,17-heptaene
Also Known As: Setiptiline (maleate)|butenedioic acid; setiptiline|MO-8282|2,3,4,9-tetrahydro-2-methyl-1H-dibenzo[3,4|But-2-enedioic acid;4-methyl-4-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),8,10,12,15,17-heptaene
CAS: 85650-57-3
| Molecular Formula | C23H23NO4 |
|---|---|
| Molecular Weight | 377.16272 g/mol |
| LogP | 3.5489 |
| Topological Polar Surface Area | 77.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 377.16272 |
| Monoisotopic Mass | 377.16272 |
| Heavy Atoms | 28 |
| Complexity | 516.0 |
Chemical Identifiers
| CAS Number | 85650-57-3 |
|---|---|
| SMILES | CN1CCC2=C(C1)C3=CC=CC=C3CC4=CC=CC=C24.C(=CC(=O)O)C(=O)O |
| InChIKey | AVPIBVPBCWBXIU-UHFFFAOYSA-N |
Product Overview
Setiptiline (maleate) (CAS 85650-57-3), with molecular formula C23H23NO4 and molecular weight 377.16272 g/mol. IUPAC: but-2-enedioic acid;4-methyl-4-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),8,10,12,15,17-heptaene.
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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