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Piretanide-[d4]

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General Information
Catalog: BLP-003836
CAS: 1246816-90-9
Molecular Formula: C17H14D4N2O5S
Molecular Weight: 366.42

Chemical Structure

Description	Piretanide-[d4], is the labelled analogue of Piretanide. Piretanide is a loop diuretic compound.
Synonyms	Piretanide D4; 4-Phenoxy-3-[(2,2,5,5-2H4)pyrrolidin-1-yl]-5-sulfamoylbenzoic acid
IUPAC Name	4-phenoxy-3-sulfamoyl-5-(2,2,5,5-tetradeuteriopyrrolidin-1-yl)benzoic acid
Related CAS	55837-27-9 (unlabelled)
Isomeric SMILES	[2H]C1(CCC(N1C2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)OC3=CC=CC=C3)([2H])[2H])[2H]
Canonical SMILES	C1CCN(C1)C2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)OC3=CC=CC=C3
InChI	InChI=1S/C17H18N2O5S/c18-25(22,23)15-11-12(17(20)21)10-14(19-8-4-5-9-19)16(15)24-13-6-2-1-3-7-13/h1-3,6-7,10-11H,4-5,8-9H2,(H,20,21)(H2,18,22,23)/i8D2,9D2
InChI Key	UJEWTUDSLQGTOA-LZMSFWOYSA-N
Boiling Point	597.7±60.0°C at 760 mmHg
Melting Point	219-221°C(dec.)
Density	1.4±0.1 g/cm3
Solubility	Soluble in DMSO, Methanol
Appearance	Pale Yellow Solid
Storage	Store at-20°C