6-Chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide

Basic Information

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CAS Number

58-93-5

Molecular Formula

C7H8ClN3O4S2

Molecular Weight

297.75 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

273-275 ºC

Boiling Point

577°Cat760mmHg

Refractive Index

1.6100 (estimate)

SMILES

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NS(=O)(=O)c1cc2c(NCNS2(=O)=O)cc1Cl

InChI

InChI=1S/C7H8ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-2,10-11H,3H2,(H2,9,12,13)

InChIKey

JZUFKLXOESDKRF-UHFFFAOYSA-N

LogP

-0.35129999999999945

pKa

7.9, 9.2(at 25℃)

Topological Polar Surface Area

118.35999999999999 Å²

Hydrogen Bond Donor/Acceptor

4 / 7

Complexity

494

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Stability

Stable. Incompatible with strong oxidizing agents.

Toxicity

LD50 in mice (mg/kg): 590 i.v.; >8000 orally (Piala)

Synonyms & References

English

Hydrochlorothiazide
2H-1,2,4-Benzothiadiazine-7-sulfonamide, 6-chloro-3,4-dihydro-, 1,1-dioxide
3,4-Dihydro-6-chloro-7-sulfamyl-1,2,4-benzothiadiazine-1,1-dioxide
6-chloro-3,4-dihydro-2h-1,2,4-benzothiadiazine-7-sulfonamide
6-Chloro-3,4-dihydro-7-sulphamoyl-1,2,4-ben-zoth-iadi-azine1,1-dioxcide
6-chloro-7-sulfamoyl-3,4-dihydro-2h-1,2,4-benzothiadiazine
6-Chloro-7-sulfamoyl-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide
6-chloro-7-sulfamoyl-3,4-dihydro-2h-1,2,4-benzothiadiazine-1,1-dioxide
HCTZ
Hydrochlorothiazide solution
6-Chloro-3,4-Dihydro-(2H)-1,2,4-Benzothiadiazine-7-Sulfonamide 1,1-Dioxide
3,4-Dihydro-6-chloro-7-sulfamoyl-1,2,4-benzothiadiazine-1,1-dioxide
6-Chloro-3,4-dihydro-7-sulfamoyl-2H-1,2,4-benzothiadiazine-1,1-dioxide
3,4-Dihydrochlorothiazide
Hypothiazide
Esidrix
Oretic
Servithiazid
Hydrosaluric
Hidrotiazida
Dichlotiazid
Hydrochlorthiazide
Hydrochlorothiazid
Hydrodiuretic
Thiuretic
Maschitt
Aquarills
Newtolide
Disalunil
Diclotride
Dichlotride

MDL Number

MFCD00051765

Customs Code

2935009090

FAQ

What is 6-Chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide (CAS: 58-93-5)?

6-Chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide (CAS: 58-93-5) is a sulfonamide derivative with the chemical formula C8H8ClN3O4S2. It is a white crystalline solid, known for its stability and solubility in polar solvents. The compound features a benzothiadiazine ring with a sulfonamide group and a dioxide functional group, making it a key intermediate in pharmaceutical synthesis. Its molecular structure contributes to its use in medicinal chemistry due to its ability to modulate enzyme activity.

What are the main uses of 6-Chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide (CAS: 58-93-5)?

6-Chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide (CAS: 58-93-5) is primarily used in pharmaceuticals as an active ingredient in antihypertensive drugs like losartan. It also serves as a chemical intermediate in the production of other medicinal compounds and pesticide formulations. In research, it is employed for studying enzyme inhibition mechanisms. Its applications span across drug development, industrial chemistry, and agricultural science.

Is 6-Chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide (CAS: 58-93-5) safe?

6-Chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide (CAS: 58-93-5) is generally safe when handled according to standard safety protocols. It has a low toxicity profile but requires caution during handling to avoid skin and eye contact. Safety guidelines recommend using protective equipment, such as gloves and goggles, and working in a well-ventilated area. Proper storage is essential to maintain its stability and ensure safety in industrial and research settings.

How should 6-Chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide (CAS: 58-93-5) be stored?

6-Chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide (CAS: 58-93-5) should be stored in a cool, dry place at 20-25°C, away from light and moisture. It is best kept in airtight, dark-colored containers to prevent degradation. Avoid exposure to heat sources and maintain low humidity levels to ensure stability. Storage conditions must adhere to safety standards to preserve its chemical integrity and effectiveness for pharmaceutical and industrial use.