Basic information
- CAS
17755-87-2- Standard SMILES
COc1ccccc1N1CCN(CCCC(=O)c2cc(OC)c(OC)c(OC)c2)CC1.Cl.Cl- InChIKey
NTMKOTTUDFUYRA-UHFFFAOYSA-N- Molecular formula
- C24H34Cl2N2O5
- Average molar mass
- 501.4 g/mol
- Monoisotopic mass
- 500.1844776
Names & identifiers
- Preferred name
- Butyrophenone, 4-(4-(o-methoxyphenyl)piperazinyl)-3',4',5'-trimethoxy-, dihydrochloride
- IUPAC
- 4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)butan-1-one;dihydrochloride
Names & synonyms
Butyrophenone, 4-(4-(o-methoxyphenyl)piperazinyl)-3',4',5'-trimethoxy-, dihydrochloride17755-87-2DTXSID301703411-(gamma-(3,4,5-Trimethoxybenzoyl)propyl)-4-(o-methoxyphenyl)piperazine dihydrochloride4-(4-(o-Methoxyphenyl)piperazinyl)-3',4',5'-trimethoxybutyrophenone dihydrochloridePiperazine, 1-(o-methoxyphenyl)-4-(3-(3,4,5-trimethoxybenzoyl)propyl)-, dihydrochlorideRefChem:331458DTXCID90928324-[4-(2-Methoxyphenyl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)butan-1-one--hydrogen chloride (1/2)
Database identifiers
- CAS
17755-87-2- PubChem CID
- 28745
- DTXSID
DTXSID30170341
Properties
Computed structural properties
- Topological polar surface area
- 60.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 526
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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