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Bumetanide-[d5]

General Information
Catalog: BLP-013963
CAS: 1216739-35-3
Molecular Formula: C17H15D5N2O5S
Molecular Weight: 369.45
Chemical Structure
Bumetanide-[d5]
Description Bumetanide-[d5] is a metabolite of labelled Bumetanide. Bumetanide is a diuretic to eliminate edema caused by heart failure.
Synonyms 3-(Aminosulfonyl)-5-[(butyl-d5)amino]-4-phenoxy-benzoic Acid; 3-[(Butyl-d5)amino]-4-phenoxy-5-sulfamoylbenzoic Acid; Bufenox-d5; Bumex-d5; Burinex-d5; Fordiuran-d5; Lixil-d5; Lunetoron-d5; PF 1593-d5; Ro 10-6338-d5
IUPAC Name 3-(butylamino)-4-(2,3,4,5,6-pentadeuteriophenoxy)-5-sulfamoylbenzoic acid
Related CAS 28395-03-1 (unlabelled)
Isomeric SMILES [2H]C1=C(C(=C(C(=C1[2H])[2H])OC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)NCCCC)[2H])[2H]
Canonical SMILES CCCCNC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)N)OC2=CC=CC=C2
InChI InChI=1S/C17H20N2O5S/c1-2-3-9-19-14-10-12(17(20)21)11-15(25(18,22)23)16(14)24-13-7-5-4-6-8-13/h4-8,10-11,19H,2-3,9H2,1H3,(H,20,21)(H2,18,22,23)/i4D,5D,6D,7D,8D
InChI Key MAEIEVLCKWDQJH-UPKDRLQUSA-N
Melting Point 230-236°C
Purity > 95%
Solubility Soluble in DMSO (Slightly), Methanol (Slightly)
Appearance White to Off-white Solid
Storage Store at -20°C

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