RefChem:1066192
(E)-but-2-enedioic acid;3-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-8-methyl-3,8-diazabicyclo[3.2.1]octane
Also Known As: 3,8-Diazabicyclo(3.2.1)octane, 3-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-8-methyl-,(Z)-2-butenedioate (1:1)|(E)-but-2-enedioic acid; 3-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-8-methyl-3,8-diazabicyclo[3.2.1]octane
CAS: 37589-26-7
| Molecular Formula | C25H27ClN2O4S |
|---|---|
| Molecular Weight | 486.138 g/mol |
| LogP | 4.5786 |
| Topological Polar Surface Area | 81.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 486.138 |
| Monoisotopic Mass | 486.138 |
| Heavy Atoms | 33 |
| Complexity | 1046.1224 |
Chemical Identifiers
| CAS Number | 37589-26-7 |
|---|---|
| SMILES | CN1C2CCC1CN(C2)C3CC4=CC=CC=C4SC5=C3C=C(C=C5)Cl.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1066192 (CAS 37589-26-7), with molecular formula C25H27ClN2O4S and molecular weight 486.138 g/mol. IUPAC: (E)-but-2-enedioic acid;3-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-8-methyl-3,8-diazabicyclo[3.2.1]octane.
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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