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Isosorbide-¹³C6 5-Mononitrate , CAS No.1217604-00-6
a labeled metabolite of Isosorbide Dinitrate
Basic Description
Synonyms | AKOS030243219 | J-004635 | Isosorbide-13C6 5-Mononitrate | DTXSID70675981 | [(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 | 1,4:3,6-Dianhydro-5-O-nitro-D-(~13~C_6_)glucitol | Isosorbide-13C6 |
Storage Temp | Store at 2-8°C |
Shipped In | Wet ice |
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Names and Identifiers
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 |
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 |
Canonical SMILES | C1C(C2C(O1)C(CO2)O[N+](=O)[O-])O |
Isomeric SMILES | [13CH2]1[13C@@H]([13C@@H]2[13C@H](O1)[13C@@H]([13CH2]O2)O[N+](=O)[O-])O |
PubChem CID | 46782002 |
Molecular Weight | 197.09 |
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