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Substance Name: Quinine urea hydrochloride
RN: 549-52-0
UNII: MC4F54ADXA
InChIKey: VSBIHZIPRXLKFY-HZQSTTLBSA-N

Molecular Formula

  • C20-H24-N2-O2.C-H4-N2-O.2Cl-H

Molecular Weight

  • 420.9381
 
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Names and Synonyms

Name of Substance

  • Quinine urea hydrochloride

Synonyms

  • CCRIS 5757
  • EINECS 208-969-3
  • Quinine urea HCl
  • UNII-MC4F54ADXA

Systematic Names

  • Quinine urea dihydrochloride
  • Quinine urea hydrochloride

Registry Numbers

CAS Registry Number

  • 549-52-0

FDA UNII

  • MC4F54ADXA

System Generated Number

  • 0000549520

Molecular Formulas

Molecular Formula

  • C20-H24-N2-O2.C-H4-N2-O.2Cl-H

Molecular Formula Fragments

  • C-H4-N2-O
  • C20-H24-N2-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C20H24N2O2.CH4N2O.ClH/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;2-1(3)4;/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;(H4,2,3,4);1H/t13-,14-,19-,20+;;/m0../s1

InChIKey

VSBIHZIPRXLKFY-HZQSTTLBSA-N

Smiles

[C@@H]12[C@H](CN([C@@H](C1)[C@@H](c1ccnc3c1cc(OC)cc3)O)CC2)C=C.Cl.NC(=O)N