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Fluphenazine Hydrochloride
CAS: 146-56-5 | C22H28Cl2F3N3OS
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
146-56-5
Molecular Formula:
C22H28Cl2F3N3OS
Molecular Mass:
510.45 g/mol
Names and Synonyms:
Fluphenazine Hydrochloride
1-Piperazineethanol, 4-[3-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]propyl]-, hydrochloride (1:2)
1-Piperazineethanol, 4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]-, dihydrochloride
1-Piperazineethanol, 4-[3-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]propyl]-, dihydrochloride
Anatensol
Fluphenazine dihydrochloride
Fluphenazine hydrochloride
10-[3-[4-(2-Hydroxyethyl)piperazinyl]propyl]-2-trifluoromethylphenothiazine dihydrochloride
1-(2-Hydroxyethyl)-4-[3-(2-trifluoromethyl-10-phenothiazinylpropyl]piperazine dihydrochloride
Moditen
Permitil
Permitil hydrochloride
Prolixin
Squibb 4918
4-[3-[2-(Trifluoromethyl)phenothiazin-10-yl]propyl]-1-piperazineethanol dihydrochloride
Liogen
Lyorodin
Fluorophenazine dihydrochloride
Tensofin
OMCA
Flufenazin
Fluphenazine chloride
Trancin
Mirenil
Siqualone
Dapotum
Valamina
Lyogen
Fludecan
Prolinate
2-(4-(3-(2-(Trifluoromethyl)-10H-phenothiazin-10-yl)propyl)piperazin-1-yl)ethanol dihydrochloride
Identifiers:
SMILES:
Cl.Cl.OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1
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
Key Properties
Melting Point
235-237 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 510.45 g/mol | CAS Common Chemistry |
| 510.45300000000015 g/mol | RDKit | |
| 509.12822353599995 g/mol | RDKit | |
| Canonical SMILES | Cl.FC(F)(F)C1=CC=C2SC=3C=CC=CC3N(C2=C1)CCCN4CCN(CCO)CC4 | CAS Common Chemistry |
| 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 | CAS Common Chemistry |
| InChI Key | InChIKey=MBHNWCYEGXQEIT-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 235-237 °C | CAS Common Chemistry |
| Name | Fluphenazine hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 32 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 29.950000000000003 Ų | RDKit |
| LogP | 5.151700000000005 | RDKit |
| Molar Refractivity | 128.09380000000004 | RDKit |
