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Substance Name: Quinine urethane formate
RN: 115160-09-3
InChIKey: GFBQKEBVKHGTQY-UHFFFAOYSA-N

Molecular Formula

  • C20-H24-N2-O2.C3-H7-N-O2.C-H2-O2

Molecular Weight

  • 459.54
 
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Names and Synonyms

Results Name

  • Quinine urethane formate

Synonyms

  • Quinine urethane formate
  • Quinine, formic acid, compd. with ethyl carbamate (1:1:1)

Systematic Name

  • Formic acid, compd. with ethyl carbamate and (8alpha,9R)-6'-methoxycinchonan-9-ol (1:1:1)

Registry Numbers

CAS Registry Number

  • 115160-09-3

System Generated Number

  • 0115160093

Molecular Formulas

Molecular Formula

  • C20-H24-N2-O2.C3-H7-N-O2.C-H2-O2

Molecular Formula Fragments

  • C-H2-O2
  • C20-H24-N2-O2
  • C3-H7-N-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C20H24N2O2.C3H7NO2.CH2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;1-2-6-3(4)5;2-1-3/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;2H2,1H3,(H2,4,5);1H,(H,2,3)

InChIKey

GFBQKEBVKHGTQY-UHFFFAOYSA-N

Smiles

C(=O)O.C(N)(=O)OCC.c1([C@@H]([C@@H]2[N@@]3CC[C@@H]([C@@H](C3)C=C)C2)O)c2cc(ccc2ncc1)OC