CTK4H7391
but-2-enedioic acid;8-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-1-thia-4,8-diazaspiro[4.5]decan-3-one
Also Known As: 1-Thia-4,8-diazaspiro(4.5)decan-3-one, 8-((2,3-dihydro-8-methoxy-1,4-benzodioxin-2-yl)methyl)-, (Z)-2-butenedioate (1:1)|but-2-enedioic acid; 8-[(2-methoxy-7,10-dioxabicyclo[4.4.0]deca-2,4,11-trien-9-yl)methyl]-1-thia-4,8-diazaspiro[4.5]decan-3-one
CAS: 36913-71-0
| Molecular Formula | C21H26N2O8S |
|---|---|
| Molecular Weight | 466.141 g/mol |
| LogP | 1.2019 |
| Topological Polar Surface Area | 160.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 466.141 |
| Monoisotopic Mass | 466.141 |
| Heavy Atoms | 32 |
| Complexity | 588.0 |
Chemical Identifiers
| CAS Number | 36913-71-0 |
|---|---|
| SMILES | COC1=CC=CC2=C1OC(CO2)CN3CCC4(CC3)NC(=O)CS4.C(=CC(=O)O)C(=O)O |
| InChIKey | IJTMIXAPOHQGLG-UHFFFAOYSA-N |
Product Overview
CTK4H7391 (CAS 36913-71-0), with molecular formula C21H26N2O8S and molecular weight 466.141 g/mol. IUPAC: but-2-enedioic acid;8-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-1-thia-4,8-diazaspiro[4.5]decan-3-one.
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.
View MSDS →
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