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N-Desbutyl-N-propyl Bumetanide-[d5]

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General Information
Catalog: BLP-004945
CAS: 1346601-70-4
Molecular Formula: C16H13D5N2O5S
Molecular Weight: 355.42

Chemical Structure

Description	N-Desbutyl-N-propyl Bumetanide-[d5] is the labelled analogue of N-Desbutyl-N-propyl Bumetanide, which is an impurity of Bumetanide.
Synonyms	N-Desbutyl-N-propyl Bumetanide D5; 3-(Aminosulfonyl)-4-(phenoxy-d5)-5-(propylamino)benzoic Acid; 4-(Phenoxy-d5)-3-(propylamino)-5-sulfamoylbenzoic Acid
IUPAC Name	4-(2,3,4,5,6-pentadeuteriophenoxy)-3-(propylamino)-5-sulfamoylbenzoic acid
Related CAS	28395-28-0 (unlabelled)
Canonical SMILES	CCCNC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)N)OC2=CC=CC=C2
InChI	InChI=1S/C16H18N2O5S/c1-2-8-18-13-9-11(16(19)20)10-14(24(17,21)22)15(13)23-12-6-4-3-5-7-12/h3-7,9-10,18H,2,8H2,1H3,(H,19,20)(H2,17,21,22)/i3D,4D,5D,6D,7D
InChI Key	YZACFNSGLDGBNP-DKFMXDSJSA-N