Basic information
- CAS
26212-81-7- Standard SMILES
C[N+]1(C)CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1.[I-]- InChIKey
XUANCHTZXRSFOL-UHFFFAOYSA-M- Molecular formula
- C22H27F3IN3S
- Average molar mass
- 549.4 g/mol
- Monoisotopic mass
- 549.09225
Names & identifiers
- Preferred name
- Trifluoperazine methiodide
- IUPAC
- 10-[3-(4,4-dimethylpiperazin-4-ium-1-yl)propyl]-2-(trifluoromethyl)phenothiazine iodide
Names & synonyms
Trifluoperazine methiodide26212-81-71,1-Dimethyl-4-(3-(2-(trifluoromethyl)-10H-phenothiazin-10-yl)propyl)piperazinium iodidePiperazinium, 1,1-dimethyl-4-(3-(2-(trifluoromethyl)-10H-phenothiazin-10-yl)propyl)-, iodidePiperazinium, 1,1-dimethyl-4-(3-(2-(trifluoromethyl)phenothiazin-10-yl)propyl)-, iodideRefChem:386248Piperazinium, 1,1-dimethyl-4-(3-(2-(trifluoromethyl)phenothiazin-10-yl)propyl)-, iodide (8CI)1,1-dimethyl-4-{3-[2-(trifluoromethyl)-10h-phenothiazin-10-yl]propyl}piperazin-1-ium iodideDTXSID60949087
Database identifiers
- CAS
26212-81-7- PubChem CID
- 213344
- DTXSID
DTXSID60949087
Properties
Computed structural properties
- Topological polar surface area
- 31.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 546
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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