Basic information
- CAS
63765-85-5- Standard SMILES
CCC(=O)C(c1ccccc1)(c1ccccc1)C(C)C[NH+](C)C.[Br-]- InChIKey
FDTSMJLKASTENG-UHFFFAOYSA-N- Molecular formula
- C21H28BrNO
- Average molar mass
- 390.4 g/mol
- Monoisotopic mass
- 389.13543
Names & identifiers
- Preferred name
- Isomethadone hydrobromide
- IUPAC
- dimethyl-(2-methyl-4-oxo-3,3-diphenylhexyl)azanium bromide
Names & synonyms
Isomethadone hydrobromide, DL-isomethadone hydrobromideW8PU00YDDB63765-85-5RefChem:9237363-HEXANONE, 6-DIMETHYLAMINO-4,4-DIPHENYL-5-METHYL-, HYDROBROMIDEIsoamidone hydrobromideUNII-W8PU00YDDBdimethyl-(2-methyl-4-oxo-3,3-diphenylhexyl)azanium;bromideNS00122197Q27292471
Database identifiers
- CAS
63765-85-5- PubChem CID
- 44683
Properties
Computed structural properties
- Topological polar surface area
- 21.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 346
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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