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Thiouric Acid-[13C3] Sodium Salt Dihydrate

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General Information
Catalog: BLP-007430
Molecular Formula: C2[13C]3H7N4NaO4S
Molecular Weight: 245.17

Chemical Structure

Description	Thiouric Acid-[13C3] Sodium Salt Dihydrate is a labelled metabolite of Azathioprine.
Synonyms	7,9-Dihydro-6-thioxo-1H-purine-2,8(3H,6H)-dione-13C3 Sodium Salt Dihydrate; 6-Thio-uric Acid-13C3 Sodium Dihydrate; 2,8-Dihydroxy-6-mercaptopurine-13C3 Sodium Dihydrate; 6-Thiouric Acid-13C3 Sodium Dihydrate; NSC 46380-13C3
IUPAC Name	sodium;2-sulfanylidene-7,9-dihydro-3H-purin-1-ide-6,8-dione;dihydrate
Related CAS	1330823-16-9 (free base)
Canonical SMILES	C12=C(NC(=O)N1)NC(=S)[N-]C2=O.O.O.[Na+]
InChI	InChI=1S/C5H4N4O2S.Na.2H2O/c10-3-1-2(7-4(11)6-1)8-5(12)9-3;;;/h(H4,6,7,8,9,10,11,12);;2*1H2/q;+1;;/p-1/i2+1,4+1,5+1;;;
InChI Key	MLIWRDAPPPZIOA-LFBHLWIESA-M
Melting Point	>300°C (dec.)
Solubility	Soluble in DMSO, Water
Appearance	Tan Solid
Storage	Store at -20°C