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Isosorbide-[13C6] 5-Mononitrate

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General Information
Catalog: BLP-012879
CAS: 1217604-00-6
Molecular Formula: [13C]6H9NO6
Molecular Weight: 197.07

Chemical Structure

Description	Isosorbide-[13C6] 5-Mononitrate is the labelled analogue of Isosorbide 5-Mononitrate, which is a metabolite of Isosorbide Dinitrate. It can be used as an antianginal.
Synonyms	Isosorbide-13C6 5-Mononitrate; 1,4:3,6-Dianhydro-D-glucitol-13C6 5-Nitrate; 6-Nitrooxyhexahydro-furo[3,2-b]furan-3-ol-13C6; Isosorbide-13C6 5-Nitrate; Corangin-13C6; Elan-13C6; Elantan-13C6; Imdur-13C6; Monocedocard-13C6; Monoclair-13C6; Monosorb-13C6; Pentacard-13C6
IUPAC Name	[(3S,3aR,6R,6aS)-3-hydroxy-2,3,3a,5,6,6a-hexahydro(2,3,4,5-13C4)furano[3,2-b](2,3,4,5-13C4)furan-6-yl] nitrate
Related CAS	16051-77-7 (unlabelled)
Isomeric SMILES	[13CH2]1[13C@@H]([13C@@H]2[13C@H](O1)[13C@@H]([13CH2]O2)O[N+](=O)[O-])O
Canonical SMILES	C1C(C2C(O1)C(CO2)O[N+](=O)[O-])O
InChI	InChI=1S/C6H9NO6/c8-3-1-11-6-4(13-7(9)10)2-12-5(3)6/h3-6,8H,1-2H2/t3-,4+,5+,6+/m0/s1/i1+1,2+1,3+1,4+1,5+1,6+1
InChI Key	YWXYYJSYQOXTPL-AEKYUDOOSA-N
Purity	≥90%; ≥97% atom 13C
Solubility	Soluble in Chloroform (Slightly), Ethyl Acetate (Slightly)
Appearance	Light Yellowish Green Solid
Storage	Store at -20°C under inert atmosphere