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Substance Name: L-Aspartic acid, compd. with (8-alpha,9R)-6'-methoxycinchonan-9-ol (2:1)
RN: 196225-33-9
InChIKey: XBVTUIUWKMJVKE-OTECBHTOSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H24-N2-O2.2C4-H7-N-O4

Molecular Weight

  • 590.6262
 
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Names and Synonyms

Synonyms

  • Cinchonan-9-ol, 6'-methoxy-, (8-alpha,9R)-, L-aspartate (1:2) (salt)
  • Diaspartate de quinine
  • Diaspartate de quinine [French]
  • Quinine L-aspartate (1:2) (salt)

Systematic Name

  • L-Aspartic acid, compd. with (8-alpha,9R)-6'-methoxycinchonan-9-ol (2:1)

Registry Numbers

CAS Registry Number

  • 196225-33-9

System Generated Number

  • 0196225339

Molecular Formulas

Molecular Formula

  • C20-H24-N2-O2.2C4-H7-N-O4

Molecular Formula Fragments

  • C20-H24-N2-O2
  • C4-H7-N-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C20H24N2O2.2C4H7NO4/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*5-2(4(8)9)1-3(6)7/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;2*2H,1,5H2,(H,6,7)(H,8,9)/t;2*2-/m.00/s1

InChIKey

XBVTUIUWKMJVKE-OTECBHTOSA-N

Smiles

COc1ccc2c(c1)c(ccn2)C(C3CC4CCN3CC4C=C)O.C([C@@H](C(=O)O)N)C(=O)O.C([C@@H](C(=O)O)N)C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1300mg/kg (1300mg/kg)   French Medicament Patent Document. Vol. #2465M,