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Hydroflumethiazide-[13C,d2]

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Hydroflumethiazide-[13C,d2]

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General Information
Catalog: BLP-012383
CAS: 1189877-11-9
Molecular Formula: C7[13C]H6D2F3N3O4S2
Molecular Weight: 334.3

Chemical Structure

Description	Hydroflumethiazide-[13C,d2] is the labelled analogue of Hydroflumethiazide. Hydroflumethiazide is a diuretic used for the treatment of hypertension.
Synonyms	Hydroflumethiazide-13CD2
IUPAC Name	3,3-dideuterio-1,1-dioxo-6-(trifluoromethyl)-2,4-dihydro-1λ6,2,4-benzothiadiazine-7-sulfonamide
Related CAS	135-09-1 (unlabelled)
Isomeric SMILES	[2H][13C]1(NC2=C(C=C(C(=C2)C(F)(F)F)S(=O)(=O)N)S(=O)(=O)N1)[2H]
Canonical SMILES	C1NC2=C(C=C(C(=C2)C(F)(F)F)S(=O)(=O)N)S(=O)(=O)N1
InChI	InChI=1S/C8H8F3N3O4S2/c9-8(10,11)4-1-5-7(2-6(4)19(12,15)16)20(17,18)14-3-13-5/h1-2,13-14H,3H2,(H2,12,15,16)/i3+1D2
InChI Key	DMDGGSIALPNSEE-QFNKQLDQSA-N
Melting Point	>246°C (dec.)
Purity	95% by HPLC; 95% atom 13C; 95% atom D
Density	1.7±0.1 g/cm3
Solubility	Soluble in DMSO
Appearance	Off-white Solid
Storage	Store at -20°C