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Ethacrynic acid-[d5]

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General Information
Catalog: BLP-012344
CAS: 1330052-59-9
Molecular Formula: C13H7D5Cl2O4
Molecular Weight: 308.17

Chemical Structure

Description	Ethacrynic acid-[d5] is the labelled analogue of Ethacrynic acid. Ethacrynic acid is a loop diuretic used to treat high blood pressure and the swelling caused by diseases like congestive heart failure, liver failure, and kidney failure.
Synonyms	Ethacrynic acid D5
IUPAC Name	2-[2,3-dichloro-4-(3,3,4,4,4-pentadeuterio-2-methylidenebutanoyl)phenoxy]acetic acid
Related CAS	58-54-8 (unlabelled)
Canonical SMILES	CCC(=C)C(=O)C1=C(C(=C(C=C1)OCC(=O)O)Cl)Cl
InChI	InChI=1S/C13H12Cl2O4/c1-3-7(2)13(18)8-4-5-9(12(15)11(8)14)19-6-10(16)17/h4-5H,2-3,6H2,1H3,(H,16,17)/i1D3,3D2
InChI Key	AVOLMBLBETYQHX-WNWXXORZSA-N
Boiling Point	480.0±45.0 °C at 760 mmHg
Melting Point	120-123°C
Purity	99% by HPLC; 98% atom D
Density	1.4±0.1 g/cm3
Solubility	Soluble in DMSO, Methanol
Appearance	White to Off-white Solid
Storage	Store at -20°C