CAS 364-98-7|Diazoxide|diazoxide|7-Chloro-3-methyl-2H-1,2,4-benzothiadiazine 1,1-dioxide|7-chloro-3-methyl-2H-1λ<sup>6</sup>,2,4-benzothiadiazine-1,1-dione|7-chloro-3-methyl-2H-1$l^{6},2,4-benzothi...

Molecular Formula

C₈H₇ClN₂O₂S

Molecular Mass

230.67138

Exact Mass

229.99167615

InChI

InChI=1S/C8H7ClN2O2S/c1-5-10-7-3-2-6(9)4-8(7)14(12,13)11-5/h2-4H,1H3,(H,10,11)

InChIKey

GDLBFKVLRPITMI-UHFFFAOYSA-N

Canonic Smiles

Clc1ccc2c(c1)S(=O)(=O)NC(=N2)C

Isomeric Smiles

CC1=Nc2ccc(cc2S(=O)(=O)N1)Cl

JChem

Acid pKa

6.6604934

H Acceptors

H Donor

LogD (pH = 5.5)

1.1072646

LogD (pH = 7.4)

0.5318025

Log P

1.1328757

Molar Refractivity

55.2742

Polarizability

21.232342

Polar Surface Area

58.53

Rotatable Bonds

Lipinski's Rule of Five

true

Academic Data

PubChem

3019

Synonyms

Diazoxide7-Chloro-3-methyl-2H-1,2,4-benzothiadiazine 1,1-dioxide7-chloro-3-methyl-2H-1$l^{6},2,4-benzothiadiazine-1,1-dione

IUPAC Traditional name

diazoxide

IUPAC name

7-chloro-3-methyl-2H-1λ⁶,2,4-benzothiadiazine-1,1-dione

MDL Number

MFCD00078578

PubChem SID

24277831162227381

Physical Property

Solubility

H2O: insoluble

0.1 M NaOH: soluble

methanol: soluble

Hydrophobicity(logP)

1.201

Pharmacology Properties

Gene Information

human ... KCNA1(3736), KCNJ11(3767), KCNMA1(3778)mouse ... Kcnj1(56379), Kcnj11(16514)rat ... Gria1(50592), Kcna1(24520), Kcnj1(24521), Kcnj11(83535), Kcnj8(25472)

Safety Information

GHS Signal Word

Warning

GHS Precautionary statements

P261-P305+P351+P338

Risk Statements

22-36/37/38

22-26-36

Harmful (Xn)

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

dust mask type N95 (US), Eyeshields, Gloves

DK8185000

H302-H315-H319-H335

Product Information

Purity

95%

No Data Available

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No Data Available

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Sigma Aldrich

D9035

Biochem/physiol Actions
Selective ATP-sensitive K+ channel activator in both vascular smooth muscle and pancreatic β-cells; antihypertensive.

No Data Available

Click here to submit data

Academic Data

PubChem

3019

Synonyms

Diazoxide7-Chloro-3-methyl-2H-1,2,4-benzothiadiazine 1,1-dioxide7-chloro-3-methyl-2H-1$l^{6},2,4-benzothiadiazine-1,1-dione

IUPAC Traditional name

diazoxide

IUPAC name

7-chloro-3-methyl-2H-1λ⁶,2,4-benzothiadiazine-1,1-dione

MDL Number

MFCD00078578

PubChem SID

24277831162227381

Sigma Aldrich

D9035

Biochem/physiol Actions
Selective ATP-sensitive K+ channel activator in both vascular smooth muscle and pancreatic β-cells; antihypertensive.

No Data Available

Click here to submit data

Physical Property

Solubility

H2O: insoluble

0.1 M NaOH: soluble

methanol: soluble

Hydrophobicity(logP)

1.201

Pharmacology Properties

Gene Information

human ... KCNA1(3736), KCNJ11(3767), KCNMA1(3778)mouse ... Kcnj1(56379), Kcnj11(16514)rat ... Gria1(50592), Kcna1(24520), Kcnj1(24521), Kcnj11(83535), Kcnj8(25472)

Safety Information

GHS Signal Word

Warning

GHS Precautionary statements

P261-P305+P351+P338

Risk Statements

22-36/37/38

22-26-36

Harmful (Xn)

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

dust mask type N95 (US), Eyeshields, Gloves

DK8185000

H302-H315-H319-H335

Product Information

Purity

95%

Molecule

ID:133104