Ketone, 1-(3,3-dimethyl-3-(dimethylamino)propyl)-1-phthalanyl phenyl, hydrochloride
Basic information
- CAS
22048-50-6- Standard SMILES
C[NH+](C)C(C)(C)CCC1(C(=O)c2ccccc2)OCc2ccccc21.[Cl-]- InChIKey
IXGGAEULKLILDU-UHFFFAOYSA-N- Molecular formula
- C22H28ClNO2
- Average molar mass
- 373.9 g/mol
- Monoisotopic mass
- 373.1808568
Names & identifiers
- Preferred name
- Ketone, 1-(3,3-dimethyl-3-(dimethylamino)propyl)-1-phthalanyl phenyl, hydrochloride
- IUPAC
- [4-(1-benzoyl-3H-2-benzofuran-1-yl)-2-methylbutan-2-yl]-dimethylazanium chloride
Names & synonyms
LU 3-105 hydrochloride22048-50-61-(3,3-Dimethyl-3-(dimethylamino)propyl)-1-phthalanyl phenyl ketone hydrochlorideKetone, 1-(3,3-dimethyl-3-(dimethylamino)propyl)-1-phthalanyl phenyl, hydrochlorideRefChem:350380
Database identifiers
- CAS
22048-50-6- PubChem CID
- 30919
Properties
Computed structural properties
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 467
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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