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Chlorpromazine Hydrochloride
CAS: 69-09-0 | C17H20Cl2N2S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
69-09-0
Molecular Formula:
C17H20Cl2N2S
Molecular Weight:
355.3340000000001 g/mol
Names and Synonyms:
Chlorpromazine Hydrochloride
2-Chloro-10-(3-dimethylaminopropyl)-phenothiazine hydrochloride
[3-(2-Chloro-10H-phenothiazin-10-yl)propyl]dimethylamine hydrochloride
3-(2-Chloro-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-amine hydrochloride
Contomin
Largactil
Torazina
Promapar
Tranzene
Marazine
Hibanil
Promacid
Largaktyl
Sonazine
Chloractil
Taroctyl
Chlorazin
Megatil
Hibernal
Aminazin hydrochloride
Klorproman
Hebanil
Klorpromex
Propaphenin hydrochloride
Propaphen
Norcozine
Ampliactil monohydrochloride
Aminazin monohydrochloride
Neurazine
Plegomazin
Chloropromazine hydrochloride
Chlorpromazine hydrochloride
Thorazine hydrochloride
Largactil monohydrochloride
10-(3-Dimethylaminopropyl)-2-chlorophenothiazine monohydrochloride
CPZ
Chlorpromazinium chloride
Chlorpromazine monohydrochloride
Chloropromazine monohydrochloride
2-Chloro-10-(3-dimethylaminopropyl)phenothiazine monohydrochloride
10H-Phenothiazine-10-propanamine, 2-chloro-N,N-dimethyl-, monohydrochloride
Phenothiazine, 2-chloro-10-[3-(dimethylamino)propyl]-, monohydrochloride
10H-Phenothiazine-10-propanamine, 2-chloro-N,N-dimethyl-, hydrochloride (1:1)
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
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
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 22 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 4 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 2 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 6.48 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 5.316200000000005 | RDKit |
| molecular_mass | 355.33 g/mol | Legacy Database |
| cas-canonical-smile | Cl.ClC1=CC=C2SC=3C=CC=CC3N(C2=C1)CCCN(C)C None | Legacy Database |
| cas-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 None | Legacy Database |
| cas-inchi-key | InChIKey=FBSMERQALIEGJT-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 180 °C None | Legacy Database |
| cas-name | Chlorpromazine hydrochloride None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 99.44200000000005 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 355.3340000000001 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 354.072425 g/mol | RDKit |
