Haloperidide oxalate
Basic information
- CAS
2256-06-6- Standard SMILES
O=C(CCC(F)[NH+]1CCC(C(=O)[NH+]2CCCC2)(c2cccc(Cl)c2)CC1)c1ccccc1.O=C([O-])C(=O)[O-]- InChIKey
CNEOZRIZTKXNDU-UHFFFAOYSA-N- Molecular formula
- C28H32ClFN2O6
- Average molar mass
- 547 g/mol
- Monoisotopic mass
- 546.1932926
Names & identifiers
- Preferred name
- Haloperidide oxalate
- IUPAC
- 4-[4-(3-chlorophenyl)-4-(pyrrolidin-1-ium-1-carbonyl)piperidin-1-ium-1-yl]-4-fluoro-1-phenylbutan-1-one;oxalate
Names & synonyms
Haloperidide oxalate2256-06-6Butyrophenone, 4-(4-(m-chlorophenyl)-4-(1-pyrrolidinylcarbonyl)piperidino)-4-fluoro-, oxalateRefChem:3470774-[4-(3-Chlorophenyl)-4-(Pyrrolidin-1-Ium-1-Carbonyl)Piperidin-1-Ium-1-Yl]-4-Fluoro-1-Phenylbutan-1-One Oxalate
Database identifiers
- CAS
2256-06-6- PubChem CID
- 16739
Properties
Computed structural properties
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 700
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Compound notes
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