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Chlorprothixene chemical structure, C18H18ClNS, CAS 113-59-7
2D chemical structure

Key facts

What buyers check first

Appearance
Pale yellow crystals
Melting point
97 to 98
Solubility
FREELY SOL IN WATER @ PH 6-6.5 /HYDROCHLORIDE/
HS code
293499
Category
Screening compounds
Illustrative photo, off-white crystalline powder in an HDPE jar on a laboratory bench
Typical packagingIllustrative packaging image, not the actual product

What is Chlorprothixene?

Plain description, key identifiers and synonyms

(Z)-chlorprothixene is a chlorprothixene in which the double bond adopts a (Z)-configuration. It is an enantiomer of an (E)-chlorprothixene.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(3Z)-3-(2-chlorothioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine
CAS number
113-59-7 CAS number cross-checked
EC number
204-032-8
Molecular formula
C18H18ClNS
UNII
9S7OD60EWP
MDL number
MFCD00869180
InChIKey
WSPOMRSOLSGNFJ-AUWJEWJLSA-N
InChI
InChI=1S/C18H18ClNS/c1-20(2)11-5-7-14-15-6-3-4-8-17(15)21-18-10-9-13(19)12-16(14)18/h3-4,6-10,12H,5,11H2,1-2H3/b14-7-
Canonical SMILES
CN(C)CCC=C1c2ccccc2Sc2ccc(Cl)cc21
Isomeric SMILES
CN(C)CC/C=C\1/C2=CC=CC=C2SC3=C1C=C(C=C3)Cl

Synonyms

  • Taractan
  • Chlorprothixen
  • Truxal
  • Traquilan
  • Clorprotixeno
  • Iaractan
  • Rentovet
  • Vetacalm
  • Trictal
  • Truxil
  • Paxyl
  • Chlorprotixen
  • Chlothixen
  • Chlorprothixenum
  • Chlorprotixene
  • Truxaletten
  • Tarasan
  • Ro 4-0403
  • Ro-4-0403
  • MK 184
  • N 714C
  • cis-Chlorprothixene
  • alpha-Chlorprothixene
  • Chlorprotixine
  • Chloroprothixene
Show all 37 synonyms
  • (3Z)-3-(2-chlorothioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine
  • 1-Propanamine, 3-(2-chloro-9H-thioxanthen-9-ylidene)-N,N-dimethyl-, (Z)-
  • N-714RO 4-0403
  • [3-(2-Chloro-9H-thioxanthen-9-ylidene)propyl]dimethylamine
  • clorprotixene
  • (3-(2-chloro-9H-thioxanthen-9-ylidene)propyl)dimethylamine
  • Chlorprothixine
  • Tardan
  • (Z)-chlorprothixene
  • cis-2-Chloro-9-(3-dimethylaminopropylidene)thioxanthene
  • Tactaran
  • (Z)-2-Chloro-9-(omega-dimethylaminopropylidene)thioxanthene

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

Appearance
Pale yellow crystalsexp.
Odour
SLIGHT AMINE-LIKE ODORexp.
Melting point
97 to 98exp.
Solubility
FREELY SOL IN WATER @ PH 6-6.5 /HYDROCHLORIDE/exp.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
315.87 g/molcalc.
Exact mass
315.0848 Dacalc.
LogP (octanol/water)
5.19calc.
Topological polar surface area
3.24 ร…ยฒcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
3calc.
Heavy atoms
21calc.
Rings
3calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.22calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (1 violation)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, C=C1c2ccccc2Sc2ccccc21

C=C1c2ccccc2Sc2ccccc21

3 rings, 15 atoms, the 9-Methylenethioxanthene ring system.

85 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Danger
GHS06: Acute toxicity (severe)
Acute toxicity (severe)
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H301Toxic if swallowed.
  • H336May cause drowsiness or dizziness.
Precautionary statements (12)
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P271Use only outdoors or in a well-ventilated area.
  • P301 + P316If swallowed: Get emergency medical help immediately.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P319Get medical help if you feel unwell.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P403 + P233Store in a well-ventilated place. Keep container tightly closed.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

Chlorprothixene suppliers

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Chlorprothixene price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Pharmacological actions

  • Antipsychotic Agents
  • Dopamine Antagonists

How it is made

/By/ cyclizing 5-chloro-2(phenylthio)benzoic acid with the aid of polyphosphoric acid to form 2-chlorothioxanthen-9-one followed by reaction of the latter with (3-(dimethylamino)-propylidene)triphenylphosphorane to introduce the 9-substituent.

Us patent 3,115,502 describes a process for converting the cis form of the compound to the therapeutically active trans form which involves heating in the presence of a strongly basic agent such as an alkali metal hydroxide, alkoxide, or amide.

2-Chlorothioxanthone + 3-dimethylaminopropyl chloride hydrochloride (Grignard reagent formation/Grignard reaction/dehydration).

Regulatory status

Inventories, regulations and trade controls that list this substance

Health and food

  • EU Cosmetics Regulation Annex II, prohibited in cosmetics
    Name: Chlorprothixene (INN) and its salts, Ref no: 84, Annex ref: II/84

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Chlorprothixene is traded under.

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024
$26.7B
+15.0% vs 2023, imports $26.3B
2019 to 2024
Top exporters
  1. Ireland26.3%
  2. China15.7%
  3. Singapore10.3%
Top importers
  1. United States24.5%
  2. Germany23.1%
  3. Japan4.5%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Chlorprothixene is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Chlorprothixene, based on the data on this page

What is Chlorprothixene?

(Z)-chlorprothixene is a chlorprothixene in which the double bond adopts a (Z)-configuration. It is an enantiomer of an (E)-chlorprothixene.

What is the CAS number of Chlorprothixene?

The CAS registry number of Chlorprothixene is 113-59-7.

What is the molecular formula and weight of Chlorprothixene?

The molecular formula of Chlorprothixene is C18H18ClNS and its molar mass is 315.87 g/mol.

What is Chlorprothixene used for?

Known uses and roles of Chlorprothixene include building blocks in research and laboratory, screening compounds in research and laboratory, antipsychotic agents and dopamine antagonists.

Is Chlorprothixene hazardous?

Chlorprothixene carries the GHS signal word "Danger". Main hazards: toxic if swallowed, may cause drowsiness or dizziness. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Chlorprothixene?

Chlorprothixene is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclicโ€ฆ). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Chlorprothixene?

CompoundList lists 26 suppliers of Chlorprothixene in China, United States, Hong Kong, Germany and 6 more. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

Where can I buy Chlorprothixene in India?

1 supplier in India list Chlorprothixene on CompoundList. Filter the suppliers list by country and send a request to compare prices, grades and delivery times.

What is the price of Chlorprothixene?

Suppliers quote Chlorprothixene on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Chlorprothixene

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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