Polythiazide
Also known as Renese, Drenusil, Nephril
Key facts
What buyers check first
- Appearance
- White, crystalline powder
- Melting point
- 202.5 °C
- Solubility
- PRACTICALLY INSOL IN WATER & CHLOROFORM, SOL IN METHANOL, ACETONE & DIMETHYLFORMAMIDE
- HS code
- 293590
- Category
- Cardiovascular and metabolic drugs
What is Polythiazide?
Plain description, key identifiers and synonyms
Polythiazide is a benzothiadiazine.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- 6-chloro-2-methyl-1,1-dioxo-3-(2,2,2-trifluoroethylsulfanylmethyl)-3,4-dihydro-1λ6,2,4-benzothiadiazine-7-sulfonamide
- CAS number
- 346-18-9 CAS number cross-checkedOther or deprecated CAS: 96783-10-7, 96783-11-8
- EC number
- 206-468-4
- Molecular formula
- C11H13ClF3N3O4S3
- UNII
- 36780APV5N, 7Q9A5WT2FR, SWY93BD8RL
- InChIKey
- CYLWJCABXYDINA-UHFFFAOYSA-N
- InChI
- InChI=1S/C11H13ClF3N3O4S3/c1-18-10(4-23-5-11(13,14)15)17-7-2-6(12)8(24(16,19)20)3-9(7)25(18,21)22/h2-3,10,17H,4-5H2,1H3,(H2,16,19,20)
- SMILES (canonical and isomeric)
- CN1C(NC2=CC(=C(C=C2S1(=O)=O)S(=O)(=O)N)Cl)CSCC(F)(F)F
Synonyms
- Renese
- Drenusil
- Nephril
- Politiazida
- 2H-1,2,4-Benzothiadiazine-7-sulfonamide, 6-chloro-3,4-dihydro-2-methyl-3-(((2,2,2-trifluoroethyl)thio)methyl)-, 1,1-dioxide
- 6-Chloro-3,4-dihydro-2-methyl-3-(((2,2,2-trifluoroethyl)thio)methyl)-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide
- 2-Methyl-3-(beta,beta,beta-trifluoroethylthiomethyl)-6-chloro-7-sulfamyl-3,4-dihydro-1,2,4-benzothiadiazine 1,1-dioxide
- 2H-1,2,4-Benzothiadiazine-7-sulfonamide, 6-chloro-3,4-dihydro-2-methyl-3-[[(2,2,2-trifluoroethyl)thio]methyl]-, 1,1-dioxide
- 6-Chloro-3,4-dihydro-2-methyl-3-[[(2,2,2-trifluoroethyl)thio]methyl]-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide
- politiazide
- 6-chloro-2-methyl-1,1-dioxo-3-(((2,2,2-trifluoroethyl)sulfanyl)methyl)-3,4-dihydro-2H-1$l^(6),2,4-benzothiadiazine-7-sulfonamide
- 6-chloro-2-methyl-1,1-dioxo-3-{[(2,2,2-trifluoroethyl)sulfanyl]methyl}-3,4-dihydro-2H-1$l^{6},2,4-benzothiadiazine-7-sulfonamide
- 2H-1,2,4-Benzothiadiazine-7-sulfonamide, 6-chloro-3,4-dihydro-2-methyl-3-(((2,2,2-trifluoroethyl)thio)methyl)-, 1,1-dioxide (8CI, 9CI)
- Nephril, (+)-
- 6-chloro-2-methyl-1,1-dioxo-3-{[(2,2,2-trifluoroethyl)sulfanyl]methyl}-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide
- Drenusil, NSC 108161, Nephril, P 2525, Renese
- 2H-1,2,4-Benzothiadiazine-7-sulfonamide, 6-chloro-3,4-dihydro-2-methyl-3-(((2,2,2-trifluoroethyl)thio)methyl)-, 1,1-dioxide, (+)-
- Renese (TN)
- 6-Chloro-3,4-dihydro-2-methyl-7-sulphamoyl-3-(2,2,2-trifluoroethylthiomethyl)-2H-benzo-1,2,4-thiadiazine 1,1-dioxide
- Nephril, (-)-
- Polythiazide, (-)-
- 6-chloro-2-methyl-3-(((2,2,2-trifluoroethyl)thio)methyl)-3,4-dihydro-2H-benzo[e][1,2,4]thiadiazine-7-sulfonamide 1,1-dioxide
- 2H-1,2,4-Benzothiadiazine-7-sulfonamide, 6-chloro-3,4-dihydro-2-methyl-3-(((2,2,2-trifluoroethyl)thio)methyl)-, 1,1-dioxide, (-)-
- 2H-1,4-Benzothiadiazine-7-sulfonamide, 6-chloro-3,4-dihydro-2-methyl-3-[[(2,2,2-trifluoroethyl)thio]methyl]-, 1,1-dioxide
- 6-chloro-2-methyl-1,1-dioxo-3-(2,2,2-trifluoroethylsulfanylmethyl)-3,4-dihydro-1lambda6,2,4-benzothiadiazine-7-sulfonamide
Show all 30 synonymsShow fewer synonyms
- 6-chloro-2-methyl-1,1-dioxo-3-(2,2,2-trifluoroethylsulfanylmethyl)-3,4-dihydrobenzo[e][1,2,4]thiadiazine-7-sulfonamide
- 6-Chloro-2-methyl-1,1-dioxo-3-{[(2,2,2-trifluoroethyl)sulfanyl]methyl}-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazine-7-sulfonamide
- 6-Chloro-2-methyl-3-([(2,2,2-trifluoroethyl)sulfanyl]methyl)-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide #
- 6-Chloro-2-methyl-3-[[(2,2,2-trifluoroethyl)sulfanyl]methyl]-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide
- 6-Chloro-3,2,2-trifluoroethyl)thio]methyl]-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide
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 | White, crystalline powderexp.Measured value |
|---|---|
| Melting point | 202.5 °Cexp.Measured value |
| Solubility | PRACTICALLY INSOL IN WATER & CHLOROFORM, SOL IN METHANOL, ACETONE & DIMETHYLFORMAMIDEexp.Measured value |
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 | 439.89 g/molcalc.Computed value |
|---|---|
| Exact mass | 438.9709 Dacalc.Computed value |
| LogP (octanol/water) | 1.65calc.Computed value |
| Topological polar surface area | 109.6 Ųcalc.Computed value |
| Hydrogen bond donors | 2calc.Computed value |
| Hydrogen bond acceptors | 6calc.Computed value |
| Rotatable bonds | 4calc.Computed value |
| Heavy atoms | 25calc.Computed value |
| Rings | 2calc.Computed value |
| Aromatic rings | 1calc.Computed value |
| Fraction sp3 carbons | 0.46calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 1calc.Computed value |
| Lipinski rule of five | Passes (0 violations)calc.Computed value |
Calculated for screening. Confirm critical figures with the supplier.
Murcko scaffold
The ring system that remains when every side chain is removed
O=S1(=O)NCNc2ccccc21
2 rings, 12 atoms, the 2H-1,2,4-Benzothiadiazine, 3,4-dihydro-, 1,1-dioxide ring system.
123 other chemicals share this scaffoldSafety and hazards
GHS classification summary, not a safety data sheet
Hazard statements
- H302Harmful if swallowed.
Precautionary statements (5)
- P264Wash skin thoroughly after handling.
- P270Do not eat, drink or smoke when using this product.
- P301 + P317If swallowed: Get medical help.
- P330Rinse mouth.
- 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.
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Polythiazide price
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Uses and applications
What the substance is used for, by industry and function
Therapeutic category: Diuretic, antihypertensive.
Use classes: Pharmaceuticals.
Industries and functions
Pharmacological actions
- Antihypertensive Agents
- Diuretics
- Sodium Chloride Symporter Inhibitors
Roles
- cardiovascular drug
- pharmaceutical
Pharmacology
Polythiazide is a Thiazide Diuretic. The physiologic effect of polythiazide is by means of Increased Diuresis.
How it is made
Reaction of 6-amino-4-chloro-n'-methyl-m-benzenedisulfonamide with the dimethyl acetal of 2,2,2-trifluoroethylmercaptoacetaldehyde in ethylene glycol dimethyl ether in the presence of a catalyst
Mcmanus, us patent 3,009,911 (1961 to pfizer).
5-Chloroaniline-2,4-disulfonamide + 2,2,2-trifluoroethanol + mercaptoacetaldehyde (sulfide formation/carbonyl condensation/methylation).
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 Polythiazide is traded under.
Sulphonamides, other
- United States23.6%
- Slovenia19.1%
- Spain11.7%
* Partner reported figures, a lower bound.
The HS code shown for Polythiazide is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Related chemicals
Parent and salt forms, stereoisomers, similar structures and isomers
Similar structures
Nearest neighbours by Morgan fingerprint Tanimoto similarity
Same formula isomers
Different compounds that share this molecular formula
![6-Chloro-3,4-dihydro-N-methyl-3-[[(2,2,2-trifluoroethyl)thio]methyl]-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-Dioxide chemical structure, C11H13ClF3N3O4S3, CAS 745-75-5](/s/AHPOSQGMEUVDKM-UHFFFAOYSA-N.svg)
Frequently asked questions
Quick answers about Polythiazide, based on the data on this page
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Guides for buyers
Practical guides that help when you source, ship or handle Polythiazide
- Article, QualityPharma grades explained: IP vs BP vs USP vs EPWhat the Indian, British, US and European pharmacopoeias are, how their monographs differ, what multi grade claims mean and why a grade alone does not make a product fit for medicines.Read
- Guide, SafetyHow to read a safety data sheet in 10 minutesA section by section method to pull the essentials out of any 16 section SDS: identity, hazards, composition, storage, PPE, properties, transport and emergency measures.Read
- Guide, SafetyGHS pictograms, signal words and hazard statements explainedA practical guide to the nine GHS pictograms, the signal words Danger and Warning, H and P statements, and how to read a chemical label in seconds.Read
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