Basic information
- CAS
49646-21-1- Standard SMILES
CC(=O)c1ccc(OCc2ccccc2)cc1OCC(O)CN1CCN(c2ccc(C)c(C)c2)CC1.Cl.Cl- InChIKey
VHXVZFZOHQFGRW-UHFFFAOYSA-N- Molecular formula
- C30H38Cl2N2O4
- Average molar mass
- 561.5 g/mol
- Monoisotopic mass
- 560.2208631
Names & identifiers
- Preferred name
- Ethanone, 1-(2-(3-(4-(3,4-dimethylphenyl)-1-piperazinyl)-2-hydroxypropoxy)-4-(phenylmethoxy)phenyl)-, dihydrochloride, (+-)-
- IUPAC
- 1-[2-[3-[4-(3,4-dimethylphenyl)piperazin-1-yl]-2-hydroxypropoxy]-4-phenylmethoxyphenyl]ethanone;dihydrochloride
Names & synonyms
49646-21-1Ethanone, 1-(2-(3-(4-(3,4-dimethylphenyl)-1-piperazinyl)-2-hydroxypropoxy)-4-(phenylmethoxy)phenyl)-, dihydrochloride, (+-)-RefChem:341085DTXSID909643241-[4-(Benzyloxy)-2-{3-[4-(3,4-dimethylphenyl)piperazin-1-yl]-2-hydroxypropoxy}phenyl]ethan-1-one--hydrogen chloride (1/2)
Database identifiers
- CAS
49646-21-1- PubChem CID
- 206342
- DTXSID
DTXSID90964324
Properties
Computed structural properties
- Topological polar surface area
- 62.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 661
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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