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50-53-3

50-53-3 structural image
Product Name: Chlorpromazine
Formula: C17H19ClN2S
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Color/Form Oily liquid
Odor Amine odor
Boiling Point 200-205 °C at 8.00E-01 mm Hg
Melting Point 177-178
Solubility 2.55 mg/L (at 24 °C)
LogP 5.41
LogS -5.01
Stability/Shelf Life Chlorpromazine and its hydrochloride salt darken on prolonged exposure to light. Commercially available preparations of chlorpromazine and its hydrochloride salt should be protected from light.
Decomposition When heated to decomposition it emits very toxic fumes of /hydrogen chloride/, nitroxides, and sulfoxides.
pH Alkaline reaction
Caco2 Permeability -4.7
Dissociation Constants 9.24
Collision Cross Section 170.6 Ų [M+H]+ [CCS Type: TW, Method: Major Mix IMS/Tof Calibration Kit (Waters)]
Kovats Retention Index 2525 2443 2480 2474 2481 2474 2452 2490 2479 2526 2499 2540 2525 2486 2487 2480.1 2484 2490.2 2504 2480 2486 2440 2452 2474 2480 2481 2500 2480 2490 2486 2514.4 2440 2515 2538 2490 2490 2449.5
Other Experimental Properties Max absorption: 250 nm (log e = 4.5); 300 nm (log e = 3.5) /Chlorpromazine hydrochloride/
Chemical Classes Other Uses -> Pharmaceuticals

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

COMPUTED DESCRIPTORS

Molecular Weight 318.9 g/mol
XLogP3 5.2
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 4
Exact Mass 318.0957475 g/mol
Monoisotopic Mass 318.0957475 g/mol
Topological Polar Surface Area 31.8 Ų
Heavy Atom Count 21
Formal Charge 0
Complexity 339
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Chlorpromazine is a substituted phenothiazine in which the ring nitrogen at position 10 is attached to C-3 of an N,N-dimethylpropanamine moiety. It has a role as a phenothiazine antipsychotic drug, an antiemetic, a dopaminergic antagonist, an EC 3.4.21.26 (prolyl oligopeptidase) inhibitor and an anticoronaviral agent. It is a member of phenothiazines, an organochlorine compound and a tertiary amine.

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