CAS 346-18-9|Polythiazide|renese|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-3,4-dihydro-2-methyl-3-[[2,...

General Information

Structure

Molecular Formula

C₁₁H₁₃ClF₃N₃O₄S₃

Molecular Mass

439.8818296

Exact Mass

438.97088125

Charge

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)

InChIKey

CYLWJCABXYDINA-UHFFFAOYSA-N

Canonic Smiles

CN1C(CSCC(F)(F)F)Nc2c(S1(=O)=O)cc(c(c2)Cl)S(=O)(=O)N

Isomeric Smiles

Clc1cc2NC(N(S(=O)(=O)c2cc1S(=O)(=O)N)C)CSCC(F)(F)F

Calculated Properties

JChem

Acid pKa

9.308278

H Acceptors

H Donor

LogD (pH = 5.5)

1.1044953

LogD (pH = 7.4)

1.0997803

Log P

1.1045558

Molar Refractivity

90.5208

Polarizability

35.26063

Polar Surface Area

109.57

Rotatable Bonds

Lipinski's Rule of Five

true

ALOGPS 2.1

Log P

2.13

LOG S

-3.22

Solubility (Water)

2.64e-01 g/l

Data Source

Academic Data

Commercial Catalog

Data Source

Names and Identifiers

IUPAC Traditional name

renese polythiazide

Synonyms

PolythiazideNSC 108161P 2525ReneseDrenusil6-Chloro-3,4-dihydro-2-methyl-3-[[2,2,2-trifluoroethyl)thio]methyl]-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-Dioxide(±)-Nephril6-Chloro-3,4-dihydro-2-methyl-7-sulfamoyl-3-(2,2,2-trifluoroethylthiomethyl)-2H-1,2,4-benzothiadiazine 1,1-DioxideNephril(±)-Polythiazide

IUPAC name

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-1λ⁶,2,4-benzothiadiazine-7-sulfonamide

Names and Identifiers

Registration numbers

CAS Number

346-18-9

PubChem SID

46508633160964621

PubChem CID

4870

Registration numbers

Properties

Physical Property

Hydrophobicity(logP)

1.90 [SANGSTER (1994)]

Safety Information

MSDS Link

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Product Information

Certificate of Analysis

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Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

DrugBank

DB01324

Drug Groups

approved

Description

A thiazide diuretic with actions and uses similar to those of hydrochlorothiazide. (From Martindale, The Extra Pharmacopoeia, 30th ed, p826)

Indication

Polythiazide is a thiazide diuretic used to decrease edema and decrease blood pressure.

Pharmacology

As a thiazide diuretic, Polythiazide inhibits the sodium-chloride symporter which decreases solute reabsorption leading to a retention of water in the urine, as water normally follows solutes. More frequent urination is due to the increased loss of water that has not been retained from the body as a result of a concomitant relationship with sodium loss from the convoluted tubule. The short-term anti-hypertensive action is based on the fact that thiazides decrease preload, decreasing blood pressure

Affected Organisms

Humans and other mammals

External Links

• [RxList]

• [Drugs.com]

TRC

P689410

Polythiazide is a thiazide diuretic. Polythiazide is used in the treatment of hypertension as well as nephrotic syndrome, cirrhosis of the liver, and nutritional edema.

Molecule Details

References

PubChem Literature

From Data Sources

• Lund-Johansen, P.: Acta Med. Scand., 187, 509 (1967)

• Kaur, J. et al.: J. Ind. Med. Assoc., 48, 13, (1967)

• O'Brien, E.T. et al.: Br. Heart J., 34, 1042 (1967)

References

Bioactivity

PubChem BioAssay

Bioactivity

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