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Molecule
Chlorpromazine Hydrochloride
CAS: 69-09-0 · C17H20Cl2N2S
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 69-09-0
- Molecular Formula
- C17H20Cl2N2S
- Molecular Mass
- 355.33 g/mol
Identifiers
CAS Registry Number
69-09-0
SMILES
CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21.Cl
InChI Key
FBSMERQALIEGJT-UHFFFAOYSA-N
InChI
InChI=1S/C17H19ClN2S.ClH/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20;/h3-4,6-9,12H,5,10-11H2,1-2H3;1H
Names and Synonyms
- Chlorpromazine Hydrochloride Common Name
- 10H-Phenothiazine-10-propanamine, 2-chloro-N,N-dimethyl-, hydrochloride (1:1) Synonym
- Phenothiazine, 2-chloro-10-[3-(dimethylamino)propyl]-, monohydrochloride Synonym
- 10H-Phenothiazine-10-propanamine, 2-chloro-N,N-dimethyl-, monohydrochloride Synonym
- 2-Chloro-10-(3-dimethylaminopropyl)phenothiazine monohydrochloride Synonym
- Chloropromazine monohydrochloride Synonym
- Chlorpromazine monohydrochloride Synonym
- Chlorpromazinium chloride Synonym
- CPZ Synonym
- 10-(3-Dimethylaminopropyl)-2-chlorophenothiazine monohydrochloride Synonym
- Largactil monohydrochloride Synonym
- Thorazine hydrochloride Synonym
- Chlorpromazine hydrochloride Synonym
- Chloropromazine hydrochloride Synonym
- Plegomazin Synonym
- Neurazine Synonym
- Aminazin monohydrochloride Synonym
- Ampliactil monohydrochloride Synonym
- Norcozine Synonym
- Propaphen Synonym
- Propaphenin hydrochloride Synonym
- Klorpromex Synonym
- Hebanil Synonym
- Klorproman Synonym
- Aminazin hydrochloride Synonym
- Hibernal Synonym
- Megatil Synonym
- Chlorazin Synonym
- Taroctyl Synonym
- Chloractil Synonym
- Sonazine Synonym
- Largaktyl Synonym
- Promacid Synonym
- Hibanil Synonym
- Marazine Synonym
- Tranzene Synonym
- Promapar Synonym
- Torazina Synonym
- Largactil Synonym
- Contomin Synonym
- 3-(2-Chloro-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-amine hydrochloride Synonym
- [3-(2-Chloro-10H-phenothiazin-10-yl)propyl]dimethylamine hydrochloride Synonym
- 2-Chloro-10-(3-dimethylaminopropyl)-phenothiazine hydrochloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 355.33 g/mol | CAS Common Chemistry |
| 355.3340000000001 g/mol | RDKit | |
| 355.334 g/mol | RDKit | |
| 357.214 g/mol | chempirical lib | |
| Canonical SMILES | Cl.ClC1=CC=C2SC=3C=CC=CC3N(C2=C1)CCCN(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C17H19ClN2S.ClH/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20;/h3-4,6-9,12H,5,10-11H2,1-2H3;1H | CAS Common Chemistry |
| InChI Key | InChIKey=FBSMERQALIEGJT-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 180 °C | CAS Common Chemistry |
| Name | Chlorpromazine hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 6.48 Ų | RDKit |
| 6.02 Ų | chempirical lib | |
| LogP | 5.316200000000005 | RDKit |
| 5.3162 | RDKit | |
| Molar Refractivity | 99.44200000000005 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2941 | RDKit |
| Exact Mass | 354.072425 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
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5
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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
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MW = 355.33 g/mol. Edit any field — others recompute live.
