Basic information
- Standard SMILES
CC(=O)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21- InChIKey
WXGZFYXVFYBWRP-UHFFFAOYSA-N- Molecular formula
- C15H10F3NOS
- Average molar mass
- 309.31 g/mol
Names & identifiers
- Preferred name
- (E)-(2-(Furan-2-yl)-2-(methoxyimino)acetic Acid
- IUPAC
- 1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone
- English name
- 1-[2-(Trifluoromethyl)-10H-phenothiazin-10-yl]ethanone
- Molecular formula
- C15H10F3NOS
- Molecular weight
- 309.31
Names & synonyms
69384-96-9(E)-(2-(Furan-2-yl)-2-(methoxyimino)acetic Acid1554-60-51-[2-(Trifluoromethyl)-10H-phenothiazin-10-yl]ethanone(alphaE)-(Methoxyimino)-2-furanacetic Acid;2-(Trifluoromethyl)-10-acetyl-10H-phenothiazineSCHEMBL24439579WXGZFYXVFYBWRP-UHFFFAOYSA-N1-(2-(Trifluoromethyl)-10H-phenothiazin-10-yl)ethan-1-one10-Acetyl-2-(trifluoromethyl)phenothiazine; 10-Acetyl-2-(trifluoromethyl)-10H-phenothiazine;Fluphenazine Decanoate Impurity 16Ethanone, 1-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]-
Database identifiers
- CAS
1554-60-5- Nikkaji
- J2.814.546B
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 45.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 414
Physicochemical properties
- Boiling point
- 475.4 · 475.4±45.0 °C(Predicted)
- Density
- 1.397 · 1.397±0.06 g/cm3(Predicted)
- pka
- -5.54 · -5.54±0.20(Predicted)
Chemistry & industry
Applications
Uses1-[2-(Trifluoromethyl)-10H-phenothiazin-10-yl]ethanone is an intermediate used in the synthesis of Fluphenazine Sulphone (F598350), which is an impurity of Fluphenazine Decanoate (F598400), used in psychotropic drug treatments like those relating to schizophrenia.
Suppliers2 total
BOC Sciences16314854226; +8616314854226 · [email protected]
湖北清北云研医药科技有限责任公司18162595016; 18162595016 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Linked notes
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