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Molecule
Fluphenazine Hydrochloride
CAS: 146-56-5 · C22H28Cl2F3N3OS
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 146-56-5
- Molecular Formula
- C22H28Cl2F3N3OS
- Molecular Mass
- 510.45 g/mol
Identifiers
CAS Registry Number
146-56-5
SMILES
Cl.Cl.OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1
InChI Key
MBHNWCYEGXQEIT-UHFFFAOYSA-N
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
Names and Synonyms
- Fluphenazine Hydrochloride Synonym
- 1-Piperazineethanol, 4-[3-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]propyl]-, hydrochloride (1:2) Synonym
- 1-Piperazineethanol, 4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]-, dihydrochloride Synonym
- 1-Piperazineethanol, 4-[3-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]propyl]-, dihydrochloride Synonym
- Anatensol Synonym
- Fluphenazine dihydrochloride Synonym
- Fluphenazine hydrochloride Synonym
- 10-[3-[4-(2-Hydroxyethyl)piperazinyl]propyl]-2-trifluoromethylphenothiazine dihydrochloride Synonym
- 1-(2-Hydroxyethyl)-4-[3-(2-trifluoromethyl-10-phenothiazinylpropyl]piperazine dihydrochloride Synonym
- Moditen Synonym
- Permitil Synonym
- Permitil hydrochloride Synonym
- Prolixin Synonym
- Squibb 4918 Synonym
- 4-[3-[2-(Trifluoromethyl)phenothiazin-10-yl]propyl]-1-piperazineethanol dihydrochloride Synonym
- Liogen Synonym
- Lyorodin Synonym
- Fluorophenazine dihydrochloride Synonym
- Tensofin Synonym
- OMCA Synonym
- Flufenazin Synonym
- Fluphenazine chloride Synonym
- Trancin Synonym
- Mirenil Synonym
- Siqualone Synonym
- Dapotum Synonym
- Valamina Synonym
- Lyogen Synonym
- Fludecan Synonym
- Prolinate Synonym
- 2-(4-(3-(2-(Trifluoromethyl)-10H-phenothiazin-10-yl)propyl)piperazin-1-yl)ethanol dihydrochloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 510.45 g/mol | CAS Common Chemistry |
| 510.45300000000015 g/mol | RDKit | |
| 510.453 g/mol | RDKit | |
| 512.333 g/mol | chempirical lib | |
| 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 |
| 29.95 Ų | RDKit | |
| 29.26 Ų | chempirical lib | |
| LogP | 5.151700000000005 | RDKit |
| 5.1517 | RDKit | |
| Molar Refractivity | 128.09380000000004 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4545 | RDKit |
| Exact Mass | 509.12822353599995 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 510.45 g/mol. Edit any field — others recompute live.
