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Substance Name: 1H-Purine-6-sulfinic acid, monosodium salt
RN: 49808-18-6
InChIKey: XSPMCIVTKZAEGM-UHFFFAOYSA-N

Molecular Formula

  • C5-H4-N4-O2-S.Na

Molecular Weight

  • 663.076
 
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Names and Synonyms

  • 1H-Purine-6-sulfinic acid, monosodium salt

Registry Numbers

CAS Registry Number

  • 49808-18-6

System Generated Number

  • 0049808186

Molecular Formulas

Molecular Formula

  • C5-H4-N4-O2-S.Na

Molecular Formula Fragments

  • C5-H4-N4-O2-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C30H34N4O11.ClH/c1-11-24(37)15(34-18(36)10-33-29(31)32)7-19(44-11)45-17-9-30(42,12(2)35)8-14-21(17)28(41)23-22(26(14)39)25(38)13-5-4-6-16(43-3)20(13)27(23)40;/h4-6,11,15,17,19,24,37,39,41-42H,7-10H2,1-3H3,(H,34,36)(H4,31,32,33);1H

InChIKey

XSPMCIVTKZAEGM-UHFFFAOYSA-N

Smiles

N([C@@H]1C[C@@H](O[C@@H]2c3c(O)c4C(=O)c5c(C(=O)c4c(O)c3C[C@@](C2)(O)C(C)=O)cccc5OC)O[C@@H]([C@@H]1O)C)C(CNC(N)=N)=O.Cl