Basic information
- Standard SMILES
ClCCCl.O=C1CCc2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2N1- InChIKey
WBWRGIGSAKBMRR-UHFFFAOYSA-N- Molecular formula
- C25H31Cl4N3O2
- Average molar mass
- 547.3 g/mol
Names & identifiers
- Preferred name
- Aripiprazole ethylenedichloride
- IUPAC
- 1,2-dichloroethane;7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
Names & synonyms
aripiprazole ethylenedichlorideSCHEMBL2922780WBWRGIGSAKBMRR-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 11489682
Properties
Computed structural properties
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 565
Related reactions
1 records
Compound notes
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