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Picosulfate-[d13] Sodium

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General Information
Catalog: BLP-003810
Molecular Formula: C18D13NNa2O8S2
Molecular Weight: 494.49

Chemical Structure

Description	Picosulfate-[d13] Sodium, is the labelled analogue of Sodium picosulfate. Sodium picosulfate is a contact stimulant laxative used as a treatment for constipation or to prepare the large bowel before colonoscopy or surgery.
Synonyms	Picosulfate-d13 Sodium
IUPAC Name	disodium;[2,3,5,6-tetradeuterio-4-[deuterio-(3,4,5,6-tetradeuteriopyridin-2-yl)-(2,3,5,6-tetradeuterio-4-sulfonatooxyphenyl)methyl]phenyl] sulfate
Related CAS	10040-45-6 (unlabelled)
Canonical SMILES	C1=CC=NC(=C1)C(C2=CC=C(C=C2)OS(=O)(=O)[O-])C3=CC=C(C=C3)OS(=O)(=O)[O-].[Na+].[Na+]
InChI	InChI=1S/C18H15NO8S2.2Na/c20-28(21,22)26-15-8-4-13(5-9-15)18(17-3-1-2-12-19-17)14-6-10-16(11-7-14)27-29(23,24)25;;/h1-12,18H,(H,20,21,22)(H,23,24,25);;/q;2*+1/p-2/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,18D;;
InChI Key	GOZDTZWAMGHLDY-BRPSIPCNSA-L
Melting Point	225-230°C
Purity	95% by CP; 92% atom D
Solubility	Soluble in DMSO, Methanol
Appearance	Off-white to Light Yellow Solid
Storage	Store at-20°C, Under inert atmosphere