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Substance Name: Bis((8alpha,9R)-9-hydroxy-6'-methoxycinchonanium) sulphate
RN: 85135-87-1
InChIKey: RONWGALEIBILOG-VMJVVOMYSA-N

Molecular Formula

  • C20-H24-N2-O2.1/2H2-O4-S

Molecular Weight

  • 746.921
 
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Names and Synonyms

Synonym

  • EINECS 285-707-4

Systematic Name

  • Bis((8alpha,9R)-9-hydroxy-6'-methoxycinchonanium) sulphate

Registry Numbers

CAS Registry Number

  • 85135-87-1

System Generated Number

  • 0085135871

Molecular Formulas

Molecular Formula

  • C20-H24-N2-O2.1/2H2-O4-S

Molecular Formula Fragments

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

Structure Descriptors

InChI

1S/2C20H24N2O2.H2O4S/c2*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;1-5(2,3)4/h2*3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;(H2,1,2,3,4)/t2*13-,14-,19-,20+;/m00./s1

InChIKey

RONWGALEIBILOG-VMJVVOMYSA-N

Smiles

C1[C@@H]([NH+]2C[C@H]([C@H]1CC2)C=C)[C@@H](c1c2cc(ccc2ncc1)OC)O.S(=O)(=O)([O-])[O-].C1[C@@H]([NH+]2C[C@H]([C@H]1CC2)C=C)[C@@H](c1c2cc(ccc2ncc1)OC)O