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Substance Name: Quinine valerate
RN: 549-66-6
UNII: 71RQP5VD1S
InChIKey: YSJITFFVRIOVOZ-DSXUQNDKSA-N

Molecular Formula

  • C20-H24-N2-O2.C5-H10-O2

Molecular Weight

  • 426.5536
 
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Names and Synonyms

Name of Substance

  • Quinine valerate

Synonyms

  • CCRIS 5759
  • EINECS 208-975-6
  • UNII-71RQP5VD1S

Systematic Name

  • Quinine valerate

Registry Numbers

CAS Registry Number

  • 549-66-6

FDA UNII

  • 71RQP5VD1S

System Generated Number

  • 0000549666

Molecular Formulas

Molecular Formula

  • C20-H24-N2-O2.C5-H10-O2

Molecular Formula Fragments

  • C20-H24-N2-O2
  • C5-H10-O2
  • COMPONENT

Structure Descriptors

InChI

InChI=1S/C20H24N2O2.C5H10O2/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;1-2-3-4-5(6)7/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;2-4H2,1H3,(H,6,7)/t13-,14-,19-,20+;/m0./s1

InChIKey

YSJITFFVRIOVOZ-DSXUQNDKSA-N

Smiles

CCCCC(=O)O.COc1ccc2nccc([C@@H](O)[C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1