Dethamid
[4-anilino-4-oxo-3-(phenylcarbamoyl)butyl]-diethylazanium;hydrogen sulfate
| Molecular Formula | C21H29N3O6S |
|---|---|
| Molecular Weight | 451.5 g/mol |
| Topological Polar Surface Area | 148.0 A2 |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 451.1777 |
| Heavy Atoms | 31 |
| Complexity | 469.0 |
Chemical Identifiers
| CAS Number | 52507-55-8 |
|---|---|
| SMILES | CC[NH+](CC)CCC(C(=O)NC1=CC=CC=C1)C(=O)NC2=CC=CC=C2.OS(=O)(=O)[O-] |
| InChIKey | IPJCCZXGFJRLGU-UHFFFAOYSA-N |
📖 Product Overview
Dethamid (CAS: 52507-55-8) is a chemical compound with molecular formula C21H29N3O6S and molecular weight 451.5 g/mol. Its IUPAC systematic name is [4-anilino-4-oxo-3-(phenylcarbamoyl)butyl]-diethylazanium;hydrogen sulfate.
IPJCCZXGFJRLGU-UHFFFAOYSA-N.
SMILES: CC[NH+](CC)CCC(C(=O)NC1=CC=CC=C1)C(=O)NC2=CC=CC=C2.OS(=O)(=O)[O-].
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