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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 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.

External Resources

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

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