Trichlormethiazide

Base Information

• Chemical Name: Trichlormethiazide
• CAS No.: 133-67-5
• Deprecated CAS: 96782-89-7
• Molecular Formula: C8H8Cl3N3O4S2
• Molecular Weight: 380.66
• Hs Code.: 2935904000
• European Community (EC) Number: 205-118-8
• NSC Number: 757368,61560
• UNII: Q58C92TUN0
• DSSTox Substance ID: DTXSID7023699
• Nikkaji Number: J2.527E
• Wikipedia: Trichlormethiazide
• Wikidata: Q2072745
• NCI Thesaurus Code: C47769
• RXCUI: 10772
• Pharos Ligand ID: NVT3WSVDW36X
• Metabolomics Workbench ID: 43265
• ChEMBL ID: CHEMBL1054
• Mol file: 133-67-5.mol

Synonyms:Aquazide;Naqua;Triazide;Trichlormethiazide;Trichloromethiazide

Chemical Property of Trichlormethiazide

Chemical Property:

• Vapor Pressure: 7.62E-16mmHg at 25°C
• Melting Point: 248-250 °C
• Refractive Index: 1.625
• Boiling Point: 631.276 °C at 760 mmHg
• PKA: pKa 6.9(acetone/H2O) (Uncertain)
• Flash Point: 335.584 °C
• PSA: 135.12000
• Density: 1.749 g/cm³
• LogP: 4.14970
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 378.902181
• Heavy Atom Count: 20
• Complexity: 571

Purity/Quality:

98% ^*data from raw suppliers

Trichlormethiazide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 42/43
• Safety Statements: 36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=C2C(=CC(=C1Cl)S(=O)(=O)N)S(=O)(=O)NC(N2)C(Cl)Cl
• Recent NIPH Clinical Trials: The preliminary prospective study of Treatment with A thiazide-based diuretic for Nocturnal polYuria associated with hypertensiOn
• Uses: diuretic, antihypertensive Trichlormethiazide, is a diuretic, having similar properties as Hydrochlorothiazide (H714560). It is used for the treatment of oedema (including that which is associated with heart failure, hepatic cirrhosis and corticosteroid therapy) and hypertension. Trichlormethiazide is a diuretic and anti-hypertensive agent from the benzothiadiazide class which is used in veterinary medicine in cattle, sheep, goats, pigs and horses, at the following therapeutic regimen: a single intramuscular dose of 0.4 mg/kg bw followed by two oral doses of 0.8 mg/kg bw given 12 and 36 hours after the first administration. Trichlormethiazide is also used in humans in the United States as a diuretic and anti-hypertensive substance but not in the European Union. The usual dose is 2 to 4 mg twice a day (i.e. approximately 0.033 to 0.066 mg/kg bw/day).
• Therapeutic Function: Diuretic

Technology Process of Trichlormethiazide

There total 3 articles about Trichlormethiazide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

chloraminophenamide (121-30-2) + dichloroacetaldehyde diethyl acetal (619-33-0) → trichloromethiazide (133-67-5,96782-89-7,96783-12-9)

Guidance literature:

With hydrogenchloride; In ethanol; for 5h; Heating;

DOI:10.1021/jo01068a053

Reference yield:

chloraminophenamide (121-30-2) + 2,2-dichloroacetaldehyde (79-02-7) → trichloromethiazide (133-67-5,96782-89-7,96783-12-9)

Guidance literature:

With hydrogenchloride; In N,N-dimethyl-formamide; Heating;

Reference yield:

→ trichloromethiazide (133-67-5,96782-89-7,96783-12-9)

Guidance literature:

upstream raw materials:

chloraminophenamide

dichloroacetaldehyde diethyl acetal

2,2-dichloroacetaldehyde

Downstream raw materials:

C₈H₈Cl₃N₃O₄S₂

trichloromethiazide

(+)-trichlormethiazide

(-)-trichlormethiazide

Refernces