Basic information
- CAS
2127-55-1- Standard SMILES
CN(C)CCCN1c2ccccc2S(=O)c2ccc(C(F)(F)F)cc21- InChIKey
JOTQGQOFPBLZHI-UHFFFAOYSA-N- Molecular formula
- C18H19F3N2OS
- Average molar mass
- 368.4 g/mol
- Monoisotopic mass
- 368.11701889
Names & identifiers
- Preferred name
- N,N-dimethyl-3-[5-oxo-2-(trifluoromethyl)phenothiazin-10-yl]propan-1-amine
- IUPAC
- N,N-dimethyl-3-[5-oxo-2-(trifluoromethyl)phenothiazin-10-yl]propan-1-amine
Names & synonyms
Triflupromazine Sulfoxide2127-55-14248-38-8N,N-dimethyl-3-[5-oxo-2-(trifluoromethyl)phenothiazin-10-yl]propan-1-amineSCHEMBL41923789DTXSID3032874910-[3-(Dimethylamino)propyl]-2-(trifluoromethyl)-5lambda~4~-phenothiazin-5(10H)-oneN,N-Dimethyl-2-(trifluoromethyl)-10H-phenothiazine-10-propanamine 5-oxide; Phenothiazine, 10-[3-(dimethylamino)propyl]-2-(trifluoromethyl)-, 5-oxide (6CI,7CI,8CI); Triflupromazine 5-oxide; Triflupromazine Sulfoxide
Database identifiers
- CAS
2127-55-1- PubChem CID
- 413625
- DTXSID
DTXSID30328749
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 53.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 485
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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