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Methyclothiazide

CAT: 0804-HY-B0562-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-B0562-01Size:5 mg
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Description
Methyclothiazide is an orally active antihypertensive agent and a diuretic agent. Methyclothiazide leads to a reduction of the vascular response to the action of endogenous vasoconstricting stimuli, such as Norepinephrine. Methyclothiazide is against voltage-dependent Ca-channel (VDCC) activity in vitro[1][2][3].
CAS Number
135-07-9
UNSPSC
12352005
Hazard Statement
H315, H319, H335
Target
Carbonic Anhydrase
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
COVID-19-immunoregulation
Field of Research
Metabolic Disease; Cardiovascular Disease
Assay Protocol
https://www.medchemexpress.com/methyclothiazide.html
Purity
99.76
Solubility
DMSO : 72 mg/mL (ultrasonic; warming) |H2O : < 0.1 mg/mL
Smiles
O=S(C1=C(Cl)C=C(C2=C1)NC(CCl)N(C)S2(=O)=O)(N)=O
Molecular Formula
C9H11Cl2N3O4S2
Molecular Weight
360.24
Precautions
H315, H319, H335
References & Citations
[1]Colas, B., et al., Mechanisms of methyclothiazide-induced inhibition of contractile responses in rat aorta. Eur J Pharmacol, 2000. 408 (1) : p. 63-7.|[2]Colas, B., et al., Direct vascular actions of methyclothiazide and indapamide in aorta of spontaneously hypertensive rats. Fundam Clin Pharmacol, 2000. 14 (4) : p. 363-8.|[3]Sasaki, S. and R.D. Bunag, Methyclothiazide attenuates salt-induced hypertension without affecting sympathetic responsiveness in Dahl rats. J Cardiovasc Pharmacol, 1983. 5 (3) : p. 378-83.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
Launched

Chemical Information

Methyclothiazide

Methyclothiazide is a benzothiadiazine.

CAS Number135-07-9
PubChem CID4121
IUPAC Name6-chloro-3-(chloromethyl)-2-methyl-1,1-dioxo-3,4-dihydro-1lambda6,2,4-benzothiadiazine-7-sulfonamide
Molecular FormulaC9H11Cl2N3O4S2
Molecular Weight360.2
XLogP1.4
Topological Polar Surface Area126
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Heavy Atom Count20
Formal Charge0
Complexity571
SMILES
CN1C(NC2=CC(=C(C=C2S1(=O)=O)S(=O)(=O)N)Cl)CCl
InChI
InChI=1S/C9H11Cl2N3O4S2/c1-14-9(4-10)13-6-2-5(11)7(19(12,15)16)3-8(6)20(14,17)18/h2-3,9,13H,4H2,1H3,(H2,12,15,16)
InChIKey
CESYKOGBSMNBPD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyclothiazide
CAS: 135-07-9
CID: 4121
Formula: C9H11Cl2N3O4S2
MW: 360.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight360.2
XLogP31.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Exact Mass358.9568036
Monoisotopic Mass358.9568036
Topological Polar Surface Area126 Ų
Heavy Atom Count20
Formal Charge0
Complexity571
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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