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Bumetanide-[d5] Butyl Ester

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General Information
Catalog: BLP-013620
CAS: 1216685-32-3
Molecular Formula: C21H23D5N2O5S
Molecular Weight: 425.55

Chemical Structure

Description	Bumetanide-[d5] Butyl Ester is a labelled intermediate in the preparation of Bumetanide.
Synonyms	3-(Aminosulfonyl)-5-(butylamino)-4-phenoxybenzoic Acid-d5 Butyl Ester; 3-(Butylamino)-4-phenoxy-5-sulfamoylbenzoic Acid-d5 Butyl Ester
IUPAC Name	butyl 3-(butylamino)-4-(2,3,4,5,6-pentadeuteriophenoxy)-5-sulfamoylbenzoate
Related CAS	32643-00-8 (unlabelled)
Canonical SMILES	CCCCNC1=C(C(=CC(=C1)C(=O)OCCCC)S(=O)(=O)N)OC2=CC=CC=C2
InChI	InChI=1S/C21H28N2O5S/c1-3-5-12-23-18-14-16(21(24)27-13-6-4-2)15-19(29(22,25)26)20(18)28-17-10-8-7-9-11-17/h7-11,14-15,23H,3-6,12-13H2,1-2H3,(H2,22,25,26)/i7D,8D,9D,10D,11D
InChI Key	FUBXAOXPLXHBPG-RAGZBHKVSA-N
Melting Point	148-150°C
Solubility	Soluble in Dichloromethane (Slightly), Chloroform (Slightly)
Appearance	White to Off-white Solid
Storage	Store at -20°C