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Etozolin (hydrochloride)

CAT: 0804-HY-B2081ASize: 1 EachDry Ice: NoHazardous: No
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Description
Etozolin hydrochloride is a diuretic agent. Etozolin hydrochloride inhibits fluid and electrolyte reabsorption in the loop of Henle. Etozolin hydrochloride can be used in research of congestive heart failure, hypertension and edema[1].
CAS Number
53-90-7
Product Name Alternative
W-2900A (hydrochloride)
UNSPSC
12352005
Target
Endogenous Metabolite
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Metabolic Disease; Cardiovascular Disease
Assay Protocol
https://www.medchemexpress.com/etozolin-hydrochloride.html
Smiles
O=C(/C=C1SC(N2CCCCC2)C(N/1C)=O)OCC.Cl
Molecular Formula
C13H21ClN2O3S
Molecular Weight
320.84
References & Citations
[1]Greven J, et, al. Effect of Etozolin on whole kidney function and fluid and electrolyte reabsorption in rat proximal convoluted tubules and loops of Henle. Arzneimittelforschung. 1977;27 (9a) :1755-7.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Etozolin hydrochloride
CAS Number53-90-7
PubChem CID72710623
IUPAC Nameethyl (2Z)-2-(3-methyl-4-oxo-5-piperidin-1-yl-1,3-thiazolidin-2-ylidene)acetate;hydrochloride
Molecular FormulaC13H21ClN2O3S
Molecular Weight320.84
Topological Polar Surface Area75.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count20
Formal Charge0
Complexity391
SMILES
CCOC(=O)/C=C\1/N(C(=O)C(S1)N2CCCCC2)C.Cl
InChI
InChI=1S/C13H20N2O3S.ClH/c1-3-18-11(16)9-10-14(2)12(17)13(19-10)15-7-5-4-6-8-15;/h9,13H,3-8H2,1-2H3;1H/b10-9-;
InChIKey
AOHAFCXGDWOODX-KVVVOXFISA-N
Chemical Structure
2D Structure
2D structure of Etozolin hydrochloride
CAS: 53-90-7
CID: 72710623
Formula: C13H21ClN2O3S
MW: 320.84
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight320.84
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass320.0961414
Monoisotopic Mass320.0961414
Topological Polar Surface Area75.2 Ų
Heavy Atom Count20
Formal Charge0
Complexity391
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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