Acetamide, N-(4,7-dimethoxy-6-(2-(diethylamino)ethoxy)-5-benzofuranyl)-, methanesulfonate, hydrate

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Basic information

CAS: 66203-13-2
Standard SMILES: CCN(CC)CCOc1c(NC(C)=O)c(OC)c2ccoc2c1OC.CS(=O)(=O)O
InChIKey: BEUKKLIMQAJDDT-UHFFFAOYSA-N
Molecular formula: C19H30N2O8S
Average molar mass: 446.5 g/mol
Monoisotopic mass: 446.17228709

Names & identifiers

Preferred name: Acetamide, N-(4,7-dimethoxy-6-(2-(diethylamino)ethoxy)-5-benzofuranyl)-, methanesulfonate, hydrate
IUPAC: N-[6-[2-(diethylamino)ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl]acetamide;methanesulfonic acid

Names & synonyms

66203-13-2Acetamide, N-(4,7-dimethoxy-6-(2-(diethylamino)ethoxy)-5-benzofuranyl)-, methanesulfonate, hydrateDTXSID80216389N-(4,7-Dimethoxy-6-(2-(diethylamino)ethoxy)-5-benzofuranyl)acetamide methanesulfonateRefChem:315219DTXCID30138880Methanesulfonic acid--N-{6-[2-(diethylamino)ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl}acetamide (1/1)

Database identifiers

CAS: 66203-13-2
PubChem CID: 47855
DTXSID: DTXSID80216389

Properties

Computed structural properties

Topological polar surface area: 136 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 9
Rotatable bonds: 9
Heavy atoms: 30
Formal charge: 0
Complexity: 511

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Compound notes

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