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Screening compounds

Clotiapine

Also known as Clothiapine, Entumin, Clotiapina

CAS 2058-52-8Formula C18H18ClN3SMolar mass 343.88 g/molEC 218-162-8
GHS signal word: Danger. Pictograms: Acute toxicity (severe), Harmful or irritant, Hazardous to the environment 1 supplier listed
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Clotiapine chemical structure, C18H18ClN3S, CAS 2058-52-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
2058-52-8
Formula
C18H18ClN3S
Molar mass
343.88 g/mol
EC number
218-162-8
HS code
293499
Category
Screening compounds

What is Clotiapine?

Plain description, key identifiers and synonyms

Clotiapine is a dibenzothiazepine.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
8-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzothiazepine
CAS number
2058-52-8 CAS number cross-checked
EC number
218-162-8
Molecular formula
C18H18ClN3S
UNII
Z05HCY0X1T
InChIKey
KAAZGXDPUNNEFN-UHFFFAOYSA-N
InChI
InChI=1S/C18H18ClN3S/c1-21-8-10-22(11-9-21)18-14-12-13(19)6-7-16(14)23-17-5-3-2-4-15(17)20-18/h2-7,12H,8-11H2,1H3
SMILES (canonical and isomeric)
CN1CCN(CC1)C2=NC3=CC=CC=C3SC4=C2C=C(C=C4)Cl

Synonyms

  • Clothiapine
  • Entumin
  • Clotiapina
  • Clotiapinum
  • DIBENZO(b,f)(1,4)THIAZEPINE, 2-CHLORO-11-(4-METHYL-1-PIPERAZINYL)-
  • Dibenzo[b,f][1,4]thiazepine, 2-chloro-11-(4-methyl-1-piperazinyl)-
  • 2-Chloro-11-(4-methyl-1-piperazinyl)dibenzo(b,f)(1,4)thiazepine
  • 2-chloro-11-(4-methyl-1-piperazinyl)dibenzo[b,f][1,4]thiazepine
  • 13-chloro-10-(4-methylpiperazin-1-yl)-2-thia-9-azatricyclo(9.4.0.03,?)pentadeca-1(11),3,5,7,9,12,14-heptaene
  • Etumine
  • HF 2159
  • 8-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzothiazepine
  • Entumine
  • LW 2159
  • 2-Chloro-11-(4-methylpiperazino)dibenzo(b,f)(1,4)thiazepine
  • 2-chloro-11-(4-methylpiperazin-1-yl)dibenzo[b,f][1,4]thiazepine
  • Clothiapine (USAN)
  • 13-chloro-10-(4-methylpiperazin-1-yl)-2-thia-9-azatricyclo[9.4.0.0,3,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene
  • Entumin (TN)
  • Clotiapine (JAN/INN)
  • Biomol-NT_000008
  • PDSP1_000469
  • PDSP2_000467
  • 8-chloro-6-(4-methyl-1-piperazinyl)benzo[b][1,4]benzothiazepine
  • 2-Chloro-11-(4-methyl-piperazin-1-yl)-dibenzo[b,f][1,4]thiazepine
Show all 26 synonyms
  • 2-Chloro-11-(4-methyl-piperazin-1-yl)-dibenzo[b,f][1,4]thiazepine(clothiapine)

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

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

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
343.88 g/molcalc.
Exact mass
343.091 Dacalc.
LogP (octanol/water)
4.13calc.
Topological polar surface area
18.84 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
0calc.
Heavy atoms
23calc.
Rings
4calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.28calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (0 violations)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, c1ccc2c(c1)N=C(N1CCNCC1)c1ccccc1S2

c1ccc2c(c1)N=C(N1CCNCC1)c1ccccc1S2

4 rings, 21 atoms, the Norquetiapine ring system.

54 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
GHS09: Hazardous to the environment
Hazardous to the environment

Hazard statements

  • H301Toxic if swallowed.
  • H302Harmful if swallowed.
  • H332Harmful if inhaled.
  • H400Very toxic to aquatic life.
  • H410Very toxic to aquatic life with long lasting effects.
Precautionary statements (14)
  • 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.
  • P273Avoid release to the environment.
  • P301 + P316If swallowed: Get emergency medical help immediately.
  • P301 + P317If swallowed: Get medical help.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P317Get medical help.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P391Collect spillage.
  • 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

Clotiapine suppliers

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Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.

Where suppliers are based

1 supplier in 1 country

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Clotiapine price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

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Uses and applications

What the substance is used for, by industry and function

Use classes: Pharmaceuticals.

Pharmacological actions

  • Antipsychotic Agents

Roles

  • antipsychotic agent
  • central nervous system depressant
  • central nervous system drug
  • pharmaceutical
  • psychotropic drug
  • tranquilizing drug

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Clotiapine 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 Clotiapine is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is Clotiapine?

Clotiapine is a dibenzothiazepine.

What is the CAS number of Clotiapine?

The CAS registry number of Clotiapine is 2058-52-8.

What is the molecular formula and weight of Clotiapine?

The molecular formula of Clotiapine is C18H18ClN3S and its molar mass is 343.88 g/mol.

What is Clotiapine used for?

Use classes: Pharmaceuticals.

Is Clotiapine hazardous?

Clotiapine carries the GHS signal word "Danger". Main hazards: toxic if swallowed, harmful if swallowed, harmful if inhaled. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Clotiapine?

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

Where can I buy Clotiapine?

CompoundList lists 1 supplier of Clotiapine in China. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Clotiapine?

Suppliers quote Clotiapine 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 Clotiapine

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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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