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Chlorothiazide chemical structure, C7H6ClN3O4S2, CAS 58-94-6
2D chemical structure

Key facts

What buyers check first

Appearance
Crystals
Melting point
342.5 to 343
Solubility
SOL IN WATER: 0 G/L @ PH 4, 0.65 G/L @ PH 7, SOL IN ALKALINE AQ SOLN
HS code
293590
Category
Cardiovascular and metabolic drugs
Illustrative photo, a shrink wrapped pallet of kraft paper sacks in a chemical plant
Typical packagingIllustrative packaging image, not the actual product

What is Chlorothiazide?

Plain description, key identifiers and synonyms

Chlorothiazide is 4H-1,2,4-benzothiadiazine 1,1-dioxide in which the hydrogen at position is substituted by chlorine and that at position 7 is substituted by a sulfonamide group. A diuretic, it is used for treatment of oedema and hypertension. It has a role as a diuretic and an antihypertensive agent.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
6-chloro-1,1-dioxo-4H-1λ6,2,4-benzothiadiazine-7-sulfonamide
CAS number
58-94-6 CAS number cross-checked
EC number
200-404-9
Molecular formula
C7H6ClN3O4S2
UNII
77W477J15H
MDL number
MFCD00058576
InChIKey
JBMKAUGHUNFTOL-UHFFFAOYSA-N
InChI
InChI=1S/C7H6ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-3H,(H,10,11)(H2,9,12,13)
SMILES (canonical and isomeric)
C1=C2C(=CC(=C1Cl)S(=O)(=O)N)S(=O)(=O)N=CN2

Synonyms

  • Diuril
  • Chlorthiazide
  • Chlorothiazid
  • Chlortiazid
  • Chlotride
  • Flumen
  • Chlorosal
  • Chlorurit
  • Clotride
  • Diuresal
  • Diurilix
  • Saluretil
  • Warduzide
  • Alurene
  • Diurite
  • Diutrid
  • Minzil
  • Salisan
  • Salunil
  • Saluric
  • Urinex
  • Yadalan
  • Neo-Dema
  • Sk-chlorothiazide
  • Chlorothiazidum
Show all 38 synonyms
  • Clorotiazida
  • 2H-1,2,4-Benzothiadiazine-7-sulfonamide, 6-chloro-, 1,1-dioxide
  • Clorotiazide
  • 6-Chloro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide
  • 6-Chloro-7-sulfamoyl-2H-1,2,4-benzothiadiazine 1,1-dioxide
  • 6-chloro-1,1-dioxo-4H-1$l^{6},2,4-benzothiadiazine-7-sulfonamide
  • 6-chloro-1,1-dioxo-4H-1$l^(6),2,4-benzothiadiazine-7-sulfonamide
  • 6-Chloro-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo(1,2,4)thiadiazine-7-sulfonic acid amide
  • 6-Chloro-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[1,2,4]thiadiazine-7-sulfonic acid amide
  • Thiazide
  • C7H6ClN3O4S2
  • component of Aldoclor
  • Diuril (TN)

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
Crystalsexp.
Odour
ODORLESSexp.
Melting point
342.5 to 343exp.
Solubility
SOL IN WATER: 0 G/L @ PH 4, 0.65 G/L @ PH 7, SOL IN ALKALINE AQ SOLNexp.

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
295.73 g/molcalc.
Exact mass
294.9488 Dacalc.
LogP (octanol/water)
0.13calc.
Topological polar surface area
118.7 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
1calc.
Heavy atoms
17calc.
Rings
2calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0calc.
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, O=S1(=O)N=CNc2ccccc21

O=S1(=O)N=CNc2ccccc21

2 rings, 12 atoms, the 4H-1,2,4-Benzothiadiazine, 1,1-dioxide ring system.

268 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Danger
GHS07: Harmful or irritant
Harmful or irritant
GHS08: Serious health hazard
Serious health hazard

Hazard statements

  • H317May cause an allergic skin reaction.
  • H334May cause allergy or asthma symptoms or breathing difficulties if inhaled.
Precautionary statements (15)
  • P233Keep container tightly closed.
  • P260Do not breathe dust, fume, gas, mist, vapours or spray.
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P271Use only outdoors or in a well-ventilated area.
  • P272Contaminated work clothing should not be allowed out of the workplace.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P284In case of inadequate ventilation wear respiratory protection.
  • P302 + P352If on skin: Wash with plenty of water.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P333 + P317If skin irritation or rash occurs: Get medical help.
  • P342 + P316If experiencing respiratory symptoms: Get emergency medical help immediately.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • P403Store in a well-ventilated place.
  • 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

Chlorothiazide suppliers

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Where suppliers are based

90 suppliers in 15 countries

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Chlorothiazide 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

Diuretic (sodium salt).

Veterinary medication:.

Use classes: Pharmaceuticals, Diuretics.

Industries and functions

Pharmacological actions

  • Antihypertensive Agents
  • Diuretics
  • Sodium Chloride Symporter Inhibitors

Roles

  • antihypertensive agent
  • cardiovascular drug
  • diuretic
  • pharmaceutical

Functional uses

  • Pharmaceutical

Pharmacology

Chlorothiazide is a Thiazide Diuretic. The physiologic effect of chlorothiazide is by means of Increased Diuresis.

How it is made

Reaction of 3-chloroaniline with chlorosulfonic acid followed by treatment with ammonia to give 3-chloro-4,6-disulfonamidoaniline which is then heated with formic acid

Novello, sprague, j am chem soc 79, 2058 (1957), novello, hinkley, us patents 2,809,194, 2,937,169 (1957, 1960, both to merck & co).

Regulatory status

Inventories, regulations and trade controls that list this substance

Health and food

  • Active ingredient in FDA approved drug labels

United States

  • TSCA inventory (USA)
    Status: Active in US commerce

HS code and trade data

Customs classification and reported world trade statistics

Global trade

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

HS 2935.90Indicative HS code

Sulphonamides, other

World exports in 2024
$5.64B
−11.0% vs 2023, imports $8.56B
2019 to 2024
Top exporters
  1. Ireland43.1%
  2. China12.0%
  3. India * partner reported9.5%
Top importers
  1. United States23.6%
  2. Slovenia19.1%
  3. Spain11.7%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

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

What is Chlorothiazide?

Chlorothiazide is 4H-1,2,4-benzothiadiazine 1,1-dioxide in which the hydrogen at position is substituted by chlorine and that at position 7 is substituted by a sulfonamide group. A diuretic, it is used for treatment of oedema and hypertension. It has a role as a diuretic and an antihypertensive agent.

What is the CAS number of Chlorothiazide?

The CAS registry number of Chlorothiazide is 58-94-6.

What is the molecular formula and weight of Chlorothiazide?

The molecular formula of Chlorothiazide is C7H6ClN3O4S2 and its molar mass is 295.73 g/mol.

What is Chlorothiazide used for?

Diuretic (sodium salt). Veterinary medication:. Use classes: Pharmaceuticals, Diuretics.

Is Chlorothiazide hazardous?

Chlorothiazide carries the GHS signal word "Danger". Main hazards: may cause an allergic skin reaction, may cause allergy or asthma symptoms or breathing difficulties if inhaled. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Chlorothiazide?

Chlorothiazide is usually classified under HS code 293590 (Sulphonamides, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Chlorothiazide?

CompoundList lists 90 suppliers of Chlorothiazide in United States, China, India, United Kingdom and 11 more. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

Where can I buy Chlorothiazide in India?

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

What is the price of Chlorothiazide?

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Guides for buyers

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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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