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Bumetanide Beta-D-Glucuronide, TRC

Product Code. 30340690
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Product Code. 30340690 Supplier Toronto Research Chemicals Supplier No. TRCB6896051MG

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Specifications

Chemical Name or Material Bumetanide beta-D-Glucuronide
CAS 102623-14-3
Molecular Formula C23H28N2O11S
Quantity 1 mg
Synonym 1-[3-(Aminosulfonyl)-5-(butylamino)-4-phenoxybenzoate]-beta-D-glucopyranuronic Acid, Bumetanide Glucuronide;
InChI Formula InChI=1S/C23H28N2O11S/c1-2-3-9-25-14-10-12(11-15(37(24,32)33)19(14)34-13-7-5-4-6-8-13)22(31)36-23-18(28)16(26)17(27)20(35-23)21(29)30/h4-8,10-11,16-18,20,23,25-28H,2-3,9H2,1H3,(H,29,30)(H2,24,32,33)/t16-,17-,18+,20-,23-/m0/s1
SMILES CCCCNc1cc(cc(c1Oc2ccccc2)S(=O)(=O)N)C(=O)O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(=O)O
IUPAC Name (2S,3S,4S,5R,6S)-6-[3-(butylamino)-4-phenoxy-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Molecular Weight (g/mol) 540.54
Formula Weight 540.1414 g/mol
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