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3-Nitro-4-phenoxy-5-sulfamoylbenzoic Acid-[d5]

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General Information
Catalog: BLP-010492
CAS: 1072125-53-1
Molecular Formula: C13H5D5N2O7S
Molecular Weight: 343.32

Chemical Structure

Description	3-Nitro-4-phenoxy-5-sulfamoylbenzoic Acid-[d5] is the labelled analogue of 3-Nitro-4-phenoxy-5-sulfamoylbenzoic Acid, which is an intermediate in the production of Bumetanide.
Synonyms	3-Nitro-4-phenoxy-5-sulfamoylbenzoic Acid D5; 3-(Aminosulfonyl)-5-nitro-4-phenoxy-benzoic Acid-d5; Bumetanide Related Compound B-d5
IUPAC Name	3-nitro-4-(2,3,4,5,6-pentadeuteriophenoxy)-5-sulfamoylbenzoic acid
Related CAS	28328-53-2 (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+](=O)[O-])[2H])[2H]
Canonical SMILES	C1=CC=C(C=C1)OC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)[N+](=O)[O-]
InChI	InChI=1S/C13H10N2O7S/c14-23(20,21)11-7-8(13(16)17)6-10(15(18)19)12(11)22-9-4-2-1-3-5-9/h1-7H,(H,16,17)(H2,14,20,21)/i1D,2D,3D,4D,5D
InChI Key	NXJUSSNAIUIVKY-RALIUCGRSA-N
Purity	≥98%
Appearance	Brownish Yellow Solid
Application	Intermediate in the production of labelled Bumetanide
Storage	Store at -20°C