Hydron;2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethanol;chloride
Basic information
- CAS
146-56-5- Standard SMILES
OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1.[Cl-].[H+]- InChIKey
CUXQPMGPJPHNFO-UHFFFAOYSA-N- Molecular formula
- C22H27ClF3N3OS
- Average molar mass
- 474 g/mol
- Monoisotopic mass
- 473.1515458
Names & identifiers
- Preferred name
- Hydron;2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethanol;chloride
- IUPAC
- hydron;2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethanol;chloride
- English name
- Fluphenazine hydrochloride
- Molecular formula
- C22H28Cl2F3N3OS
- Molecular weight
- 510.44
Names & synonyms
FLUPHENAZINE HCLFLUPHENAZINE DIHYDROCHLORIDEProlinateomcaprolixinanatensolFluphenazine DiHCla4077liogenmoditen
Database identifiers
- CAS
146-56-5- PubChem CID
- 657374
Properties
Computed structural properties
- Topological polar surface area
- 55.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 544
Physicochemical properties
- Melting point
- 200 · 200-2020C
- storage temp.
- 2 · 2-8°C
- solubility
- Soluble in DMSO and methanol.
- form
- Solid
- color
- White to Light yellow
- Sensitive
- Hygroscopic
- Stability
- Hygroscopic
- Major Application
- pharmaceutical (small molecule)
- InChI
- InChI=1S/C22H26F3N3OS.2ClH/c23-22(24,25)17-6-7-21-19(16-17)28(18-4-1-2-5-20(18)30-21)9-3-8-26-10-12-27(13-11-26)14-15-29;;/h1-2,4-7,16,29H,3,8-15H2;2*1H
- InChIKey
- MBHNWCYEGXQEIT-UHFFFAOYSA-N
- SMILES
- C12=CC(=CC=C1SC1C=CC=CC=1N2CCCN1CCN(CCO)CC1)C(F)(F)F.Cl.Cl
- FDA UNII
- 145 W1XL · ZOU145W1XL
- NCI Dictionary of Cancer Terms
- fluphenazine hydrochloride
- NCI Drug Dictionary
- fluphenazine hydrochloride
- EPA Substance Registry System
- Fluphenazine dihydrochloride (146-56-5)
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
- wgk
- 3
- rtecs
- TL9800000
- ridadr
- UN2811
- hs_code
- 2934302300
- Toxicity
- guinea pig,LD50,intraperitoneal,299mg/kg (299mg/kg),Pharmazie. Vol. 38, Pg. 749, 1983.
- risk_code
- 36/37/38-20/21/22
- Signal word
- Danger
- Symbol(GHS)
- GHS06,GHS08
- hazard_code
- Xn
- safety_code
- 26-36/37/39-36
- hazard_class
- 6.1
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- packing_group
- III
- Hazard statements
- H301-H360
- Hazard Classifications
- Acute Tox. 3 OralRepr. 1A
- Precautionary statements
- P201-P280-P301+P330+P331+P310-P308+P313
Chemistry & industry
Applications
Usesantiandrogen, antineoplastic, Nuclear Hormone receptor antagonist
UsesAntipsychotic
General DescriptionThe member ofthe piperazine subgroup with a trifluoromethyl group at the2-position of the phenothiazine system and the most potentantipsychotic phenothiazine on a milligram basis is fluphenazinehydrochloride, 4-[3-[2-(trifluoromethyl)phenazin-10-yl] propyl]-1-piperazineethanol dihydrochloride, 10[3-[4-(2-hydroxyethyl)piperazinyl]propyl]-2-trifluoromethylphenothiazine dihydrochloride (Permitil, Prolixin). It is alsoavailable as two lipid-soluble esters for depot intramuscularinjection, the enanthate (heptanoic acid ester) and the decanoateester. These long-acting preparations have use intreating psychotic patients who do not take their medicationor are subject to frequent relapse.
Upstream & downstream products
Upstream raw materials
Additional notes
DefinitionChEBI: Fluphenazine hydrochloride is a member of phenothiazines. It has a role as an anticoronaviral agent.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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