Back to Search
Molecule
Trifluoperazine Hydrochloride
CAS: 440-17-5 · C21H26Cl2F3N3S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 440-17-5
- Molecular Formula
- C21H26Cl2F3N3S
- Molecular Mass
- 480.43 g/mol
Identifiers
CAS Registry Number
440-17-5
SMILES
CN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1.Cl.Cl
InChI Key
BXDAOUXDMHXPDI-UHFFFAOYSA-N
InChI
InChI=1S/C21H24F3N3S.2ClH/c1-25-11-13-26(14-12-25)9-4-10-27-17-5-2-3-6-19(17)28-20-8-7-16(15-18(20)27)21(22,23)24;;/h2-3,5-8,15H,4,9-14H2,1H3;2*1H
Names and Synonyms
- Trifluoperazine Hydrochloride Synonym
- 10H-Phenothiazine, 10-[3-(4-methyl-1-piperazinyl)propyl]-2-(trifluoromethyl)-, hydrochloride (1:2) Synonym
- Phenothiazine, 10-[3-(4-methyl-1-piperazinyl)propyl]-2-(trifluoromethyl)-, dihydrochloride Synonym
- 10H-Phenothiazine, 10-[3-(4-methyl-1-piperazinyl)propyl]-2-(trifluoromethyl)-, dihydrochloride Synonym
- Trifluoperazine dihydrochloride Synonym
- 2-Trifluoromethyl-10-[3′-(1-methyl-4-piperazinyl)propyl]phenothiazine dihydrochloride Synonym
- Fluoperazine Synonym
- Trifluoperazine hydrochloride Synonym
- Trifluoroperazine hydrochloride Synonym
- Stelazine Synonym
- Jatroneural Synonym
- 2-Trifluoromethyl-10-[3-(1-methyl-4-piperazinyl)propyl]phenothiazine dihydrochloride Synonym
- Triphthazine dihydrochloride Synonym
- Tryptazine dihydrochloride Synonym
- Eskazine Synonym
- Trifluoroperazine dihydrochloride Synonym
- SKF 5019 Synonym
- Terfluzine Synonym
- Triftazin Synonym
- Tryptazine Synonym
- Triphthazine Synonym
- Eskazinyl Synonym
- Trazine Synonym
- Modalina Synonym
- Triphthasine Synonym
- TFP Synonym
- Stellasil Synonym
- 10-[3-(4-Methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)-10H-phenothiazine dihydrochloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 480.43 g/mol | CAS Common Chemistry |
| 480.4270000000002 g/mol | RDKit | |
| 480.427 g/mol | RDKit | |
| 482.307 g/mol | chempirical lib | |
| Canonical SMILES | Cl.FC(F)(F)C1=CC=C2SC=3C=CC=CC3N(C2=C1)CCCN4CCN(C)CC4 | CAS Common Chemistry |
| InChI | InChI=1S/C21H24F3N3S.2ClH/c1-25-11-13-26(14-12-25)9-4-10-27-17-5-2-3-6-19(17)28-20-8-7-16(15-18(20)27)21(22,23)24;;/h2-3,5-8,15H,4,9-14H2,1H3;2*1H | CAS Common Chemistry |
| InChI Key | InChIKey=BXDAOUXDMHXPDI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 242-243 °C | CAS Common Chemistry |
| Name | Trifluoperazine hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 30 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 9.72 Ų | RDKit |
| 9.03 Ų | chempirical lib | |
| LogP | 5.7892000000000055 | RDKit |
| 5.7892 | RDKit | |
| Molar Refractivity | 122.06500000000005 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4286 | RDKit |
| Exact Mass | 479.117658852 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 480.43 g/mol. Edit any field — others recompute live.
