CAS 58-94-6|Chlorothiazide|Chlotride|6-chloro-1,1-dioxo-2H-1$l^{6},2,4-benzothiadiazine-7-sulfonamide|flumen| Diuril|6-chloro-1,1-dioxo-2H-1λ<sup>6</sup>,2,4-benzothiadiazine-7-sulfonamide|6-Chloro...

General Information

Structure

Molecular Formula

C₇H₆ClN₃O₄S₂

Molecular Mass

295.72324

Exact Mass

294.94882537

Charge

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)

InChIKey

JBMKAUGHUNFTOL-UHFFFAOYSA-N

Canonic Smiles

Clc1cc2N=CNS(=O)(=O)c2cc1S(=O)(=O)N

Isomeric Smiles

c1(c(cc2c(c1)N=CNS2(=O)=O)S(=O)(=O)N)Cl

Calculated Properties

JChem

Acid pKa

6.4873347

H Acceptors

H Donor

LogD (pH = 5.5)

-0.34729496

LogD (pH = 7.4)

-0.9954968

Log P

-0.30979228

Molar Refractivity

62.9416

Polarizability

24.922909

Polar Surface Area

118.69

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

ChlorothiazideChlotride Diuril6-Chloro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxideChlorothiazide

IUPAC name

6-chloro-1,1-dioxo-2H-1$l^{6},2,4-benzothiadiazine-7-sulfonamide 6-chloro-1,1-dioxo-2H-1λ⁶,2,4-benzothiadiazine-7-sulfonamide

IUPAC Traditional name

flumen

Names and Identifiers

Registration numbers

CAS Number

PubChem CID

EC Number

PubChem SID

MDL Number

Registration numbers

Properties

Product Information

Salt Data

Free Base

Physical Property

Solubility

DMSO

Pharmacology Properties

human ... CA1(759), CA4(762), SLC12A3(6559)

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

Selleck Chemicals

S1641

Research Area: Cardiovascular disease
Biological Activity:
Chlorothiazide is a diuretic and antihypertensive. By increasing the amount of salt and water that the kidneys remove from the blood, the diuretic can lower blood pressure and help with water retention. [1] The corresponding IC50 values for the thiazide diuretics chlorothiazide, cyclothiazide, hydrochlorothiazide,and trichlormethiazide were 3.8, 84.3, 67.3 and 19.2 mM) respectively. [2]

Sigma Aldrich

C4911

Application
One of the first in the thiazide class of diuretics. The effect is sparing of calcium1 and lithium2, but increases the excretion of sodium.1

Molecule Details

References

PubChem Literature

From Data Sources

• Rizwan AN et al. Pharm Res. 2007 Mar;24(3):450-70.

References

Bioactivity

PubChem BioAssay

Bioactivity

Data Source

Commercial Catalog

Academic Data

Names and Identifiers

Synonyms

ChlorothiazideChlotride Diuril6-Chloro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxideChlorothiazide

IUPAC name

6-chloro-1,1-dioxo-2H-1$l^{6},2,4-benzothiadiazine-7-sulfonamide 6-chloro-1,1-dioxo-2H-1λ⁶,2,4-benzothiadiazine-7-sulfonamide

IUPAC Traditional name

flumen

Registration numbers

CAS Number

PubChem CID

EC Number

PubChem SID

MDL Number

Molecule Details

S1641

C4911

Application
One of the first in the thiazide class of diuretics. The effect is sparing of calcium1 and lithium2, but increases the excretion of sodium.1

References

PubChem Literature

From Data Sources

• Rizwan AN et al. Pharm Res. 2007 Mar;24(3):450-70.

Bioactivity

PubChem BioAssay

Properties

Product Information

Salt Data

Free Base

Physical Property

Solubility

DMSO

Pharmacology Properties

human ... CA1(759), CA4(762), SLC12A3(6559)

Molecule

ID:72774