Basic information
- CAS
30897-25-7- Standard SMILES
[O-][N+]1(CCO)CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1- InChIKey
PBDWTDUDJVOBEV-UHFFFAOYSA-N- Molecular formula
- C22H26F3N3O2S
- Average molar mass
- 453.5 g/mol
- Monoisotopic mass
- 453.16978274
Names & identifiers
- Preferred name
- 1-Piperazineethanol, 4-(3-(2-(trifluoromethyl)-10H-phenothiazin-10-yl)propyl)-, 1-oxide
- IUPAC
- 2-[1-oxido-4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-ium-1-yl]ethanol
- English name
- Fluphenazine N4'-oxide
- Molecular formula
- C22H26F3N3O2S
- Molecular weight
- 453.52
Names & synonyms
30897-25-71-Piperazineethanol, 4-(3-(2-(trifluoromethyl)-10H-phenothiazin-10-yl)propyl)-, 1-oxideFluphenazine N'-oxide2-[1-oxido-4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-ium-1-yl]ethanolFluphenazine mono N-oxide1-Piperazineethanol, 4-[3-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]propyl]-, 1-oxideorb3217347YU42B3DC56DTXSID301849031-Piperazineethanol, 4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]-, 1-oxide2-(1-Oxo-4-{3-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]propyl}-1lambda~5~-piperazin-1-yl)ethan-1-olFluphenazine N-Oxide
Show more names
FluphenazineN4’-oxideFluphenazine Decanoate Impurity 15
Database identifiers
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 70.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 589
Physicochemical properties
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 13.61 · 13.61±0.10(Predicted)
- color
- White to Off-White
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
UsesFluphenazine N4'-oxide is an intermediate in the synthesis of Fluphenazine Decanoate N4-Oxide, which itself is an impurity of Fluphenazine Decanoate (F598300), a psychotropic drug for treating schizophrenia-related disorders.
Suppliers4 total
TLC梯尔希（南京）药物研发有限公司18012923235 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [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.
Compound notes
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