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Desbutyl Bumetanide-[d5]

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General Information
Catalog: BLP-010757
CAS: 1072125-54-2
Molecular Formula: C13H7D5N2O5S
Molecular Weight: 313.34

Chemical Structure

Description	Desbutyl Bumetanide-[d5] is the labelled analogue of Desbutyl Bumetanide, which is a metabolite of Bumetanide.
Synonyms	Desbutyl Bumetanide D5; 3-Amino-5-(aminosulfonyl)-4-phenoxy-benzoic Acid-d5; 3-Amino-4-phenoxy-5-sulfamoylbenzoic Acid-d5; Desbutylbumetanide-d5; USP Bumetanide Related Compound A-d5; Bumetanide impurity B (EP)-d5
IUPAC Name	3-amino-4-(2,3,4,5,6-pentadeuteriophenoxy)-5-sulfamoylbenzoic acid
Related CAS	28328-54-3 (unlabelled)
Isomeric SMILES	[2H]C1=C(C(=C(C(=C1[2H])[2H])OC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)N)[2H])[2H]
Canonical SMILES	C1=CC=C(C=C1)OC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)N
InChI	InChI=1S/C13H12N2O5S/c14-10-6-8(13(16)17)7-11(21(15,18)19)12(10)20-9-4-2-1-3-5-9/h1-7H,14H2,(H,16,17)(H2,15,18,19)/i1D,2D,3D,4D,5D
InChI Key	GVQZPZSQRCXSJI-RALIUCGRSA-N
Purity	95%
Solubility	Slightly soluble in Acetone, DMSO, Methanol
Appearance	Off-white Solid
Storage	Store at 2-8°C under inert atmosphere