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Hydrochlorothiazide-[13C,d2]

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General Information
Catalog: BLP-013876
CAS: 1190006-03-1
Molecular Formula: C6H6ClN3O4S2[13C]D2
Molecular Weight: 300.74

Chemical Structure

Description	Hydrochlorothiazide-[13C,d2] is the labelled analogue of Hydrochlorothiazide. Hydrochlorothiazide is a diuretic drug used for the treatment of hypertension, diabetes insipidus and renal tubular acidosis.
Synonyms	6-Chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine-13C,d2-7-sulfonamide 1,1-Dioxide; Aquarius-13C,d2; Bremil-13C,d2; Cidrex-13C,d2; Dichlotride-13C,d2; Diurizid-13C,d2; Drenol-13C,d2; Hidrochlortiazid-13C,d2; Hydrex-13C,d2; Oretic-13C,d2; Pantemon-13C,d2
IUPAC Name	6-chloro-3,3-dideuterio-1,1-dioxo-2,4-dihydro-1λ6,2,4-benzothiadiazine-7-sulfonamide
Related CAS	58-93-5 (unlabelled)
Isomeric SMILES	[2H][13C]1(NC2=CC(=C(C=C2S(=O)(=O)N1)S(=O)(=O)N)Cl)[2H]
Canonical SMILES	C1NC2=CC(=C(C=C2S(=O)(=O)N1)S(=O)(=O)N)Cl
InChI	InChI=1S/C7H8ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-2,10-11H,3H2,(H2,9,12,13)/i3+1D2
InChI Key	JZUFKLXOESDKRF-QFNKQLDQSA-N
Melting Point	>248°C
Purity	>95%; 98% atom 13C; 98% atom D
Appearance	White to Off-White Solid