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Substance Name: Quinine iodosulfate
RN: 7631-46-1
UNII: FG2Z310P5U
InChIKey: OCLTZILENWBWIY-HKPQTANOSA-N

Note

  • Herapathite crystals were first prepared when iodine was mixed with the urine of a quinine-fed dog; could replace costly mineral polarizers.

Molecular Formula

  • C20-H24-N2-O2.3/4H2-O4-S.1/2H-I3

Molecular Weight

  • 2355.3356
 
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Names and Synonyms

Name of Substance

  • Quinine iodosulfate

Synonyms

  • EINECS 231-544-9
  • UNII-FG2Z310P5U

Systematic Names

  • Cinchonan-9-ol, 6'-methoxy-, (8alpha,9R)-, (hydrogen triiodide) sulfate (4:2:3)
  • Cinchonan-9-ol, 6'-methoxy-, (8alpha,9R)-, (hydrogen triiodide) sulfate (salt) (4:2:3)
  • Tetraquinine octahydrogen hexaiodide tris(sulphate)

Registry Numbers

CAS Registry Number

  • 7631-46-1

FDA UNII

  • FG2Z310P5U

System Generated Number

  • 0007631461

Molecular Formulas

Molecular Formula

  • C20-H24-N2-O2.3/4H2-O4-S.1/2H-I3

Molecular Formula Fragments

  • C20-H24-N2-O2
  • COMPONENT
  • H-I3
  • H2-O4-S

Structure Descriptors

InChI

1S/4C20H24N2O2.2I2.2HI.3H2O4S/c4*1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;2*1-2;;;3*1-5(2,3)4/h4*3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;;;2*1H;3*(H2,1,2,3,4)/t4*13-,14-,19-,20+;;;;;;;/m0000......./s1

InChIKey

OCLTZILENWBWIY-HKPQTANOSA-N

Smiles

COc1ccc2c(c1)c(ccn2)[C@H]([C@@H]3C[C@@H]4CC[N@]3C[C@@H]4C=C)O.COc1ccc2c(c1)c(ccn2)[C@H]([C@@H]3C[C@@H]4CC[N@]3C[C@@H]4C=C)O.COc1ccc2c(c1)c(ccn2)[C@H]([C@@H]3C[C@@H]4CC[N@]3C[C@@H]4C=C)O.COc1ccc2c(c1)c(ccn2)[C@H]([C@@H]3C[C@@H]4CC[N@]3C[C@@H]4C=C)O.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O.I.I.II.II