Basic information
- CAS
52507-55-8- Standard SMILES
CC[NH+](CC)CCC(C(=O)Nc1ccccc1)C(=O)Nc1ccccc1.O=S(=O)([O-])O- InChIKey
IPJCCZXGFJRLGU-UHFFFAOYSA-N- Molecular formula
- C21H29N3O6S
- Average molar mass
- 451.5 g/mol
- Monoisotopic mass
- 451.17770683
Names & identifiers
- Preferred name
- Propanediamide, 2-(2-(diethylamino)ethyl)-N,N'-diphenyl-, monohydrochloride
- IUPAC
- [4-anilino-4-oxo-3-(phenylcarbamoyl)butyl]-diethylazanium;hydrogen sulfate
Names & synonyms
DethamidDethamide52507-55-8Propanediamide, 2-(2-(diethylamino)ethyl)-N,N'-diphenyl-, monohydrochloride2-(2-(Diethylamino)ethyl)-N,N'-diphenylpropanediamide monohydrochlorideDTXSID30200511RefChem:374320DTXCID60123002
Database identifiers
- CAS
52507-55-8- PubChem CID
- 40405
Properties
Computed structural properties
- Topological polar surface area
- 148 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 469
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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