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Substance Name: Quinine 2-glycerophosphate
RN: 85135-86-0
UNII: H5SE58740G
InChIKey: WIGIXSBCSSPGJZ-VMJVVOMYSA-N

Molecular Formula

  • C20-H24-N2-O2.1/2C3-H9-O6-P

Molecular Weight

  • 820.9153
 
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Names and Synonyms

Name of Substance

  • Quinine 2-glycerophosphate

Synonyms

  • EINECS 285-706-9
  • UNII-H5SE58740G

Systematic Name

  • (8alpha,9R)-6'-Methoxycinchonan-9-ol, compound with 2-hydroxy-1-(hydroxymethyl)ethyl dihydrogen phosphate (2:1)

Registry Numbers

CAS Registry Number

  • 85135-86-0

FDA UNII

  • H5SE58740G

System Generated Number

  • 0085135860

Molecular Formulas

Molecular Formula

  • C20-H24-N2-O2.1/2C3-H9-O6-P

Molecular Formula Fragments

  • C20-H24-N2-O2
  • C3-H9-O6-P
  • COMPONENT

Structure Descriptors

InChI

1S/2C20H24N2O2.C3H9O6P/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;4-1-3(2-5)9-10(6,7)8/h2*3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;3-5H,1-2H2,(H2,6,7,8)/t2*13-,14-,19-,20+;/m00./s1

InChIKey

WIGIXSBCSSPGJZ-VMJVVOMYSA-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.C(C(CO)OP(=O)(O)O)O