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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
Names and Synonyms:
Chlorpromazine Hydrochloride
10H-Phenothiazine-10-propanamine, 2-chloro-N,N-dimethyl-, hydrochloride (1:1)
Phenothiazine, 2-chloro-10-[3-(dimethylamino)propyl]-, monohydrochloride
10H-Phenothiazine-10-propanamine, 2-chloro-N,N-dimethyl-, monohydrochloride
2-Chloro-10-(3-dimethylaminopropyl)phenothiazine monohydrochloride
Chloropromazine monohydrochloride
Chlorpromazine monohydrochloride
Chlorpromazinium chloride
CPZ
10-(3-Dimethylaminopropyl)-2-chlorophenothiazine monohydrochloride
Largactil monohydrochloride
Thorazine hydrochloride
Chlorpromazine hydrochloride
Chloropromazine hydrochloride
Plegomazin
Neurazine
Aminazin monohydrochloride
Ampliactil monohydrochloride
Norcozine
Propaphen
Propaphenin hydrochloride
Klorpromex
Hebanil
Klorproman
Aminazin hydrochloride
Hibernal
Megatil
Chlorazin
Taroctyl
Chloractil
Sonazine
Largaktyl
Promacid
Hibanil
Marazine
Tranzene
Promapar
Torazina
Largactil
Contomin
3-(2-Chloro-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-amine hydrochloride
[3-(2-Chloro-10H-phenothiazin-10-yl)propyl]dimethylamine hydrochloride
2-Chloro-10-(3-dimethylaminopropyl)-phenothiazine hydrochloride
Identifiers:
SMILES:
CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21.Cl
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
Key Properties
Melting Point
180 °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 | 355.33 g/mol | CAS Common Chemistry |
| 355.3340000000001 g/mol | RDKit | |
| 354.072425 g/mol | RDKit | |
| 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 |
| LogP | 5.316200000000005 | RDKit |
| Molar Refractivity | 99.44200000000005 | RDKit |
