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Substance Name: D-glycero-beta-D-galacto-2-Nonulopyranosonic acid, 5-(acetylamino)-3,5-dideoxy-, barium salt (2:1)
RN: 114767-11-2
InChIKey: LRUIMFARSYLFLS-BNMLIUAKSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H36-N2-O18.Ba

Molecular Weight

  • 753.8524
 
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Names and Synonyms

Synonyms

  • Barium N-acetylneuraminate
  • N-Acetylneuraminic barium salt

Systematic Name

  • D-glycero-beta-D-galacto-2-Nonulopyranosonic acid, 5-(acetylamino)-3,5-dideoxy-, barium salt (2:1)

Registry Numbers

CAS Registry Number

  • 114767-11-2

System Generated Number

  • 0114767112

Molecular Formulas

Molecular Formula

  • C22-H36-N2-O18.Ba

Molecular Formula Fragments

  • Ba
  • C22-H36-N2-O18
  • COMPONENT

Structure Descriptors

InChI

1S/2C11H18NO9.Ba/c2*1-4(14)12-7-5(15)2-11(20,10(18)19)21-9(7)8(17)6(16)3-13;/h2*5-9,15-17,20H,2-3H2,1H3,(H,12,14)(H,18,19);/q2*-1;+2/t2*5-,6+,7+,8+,9+,11-;/m00./s1

InChIKey

LRUIMFARSYLFLS-BNMLIUAKSA-N

Smiles

CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](C[O-])O)O)(C(=O)O)O)O.CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](C[O-])O)O)(C(=O)O)O)O.[Ba+2]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intravenous 500mg/kg (500mg/kg) KIDNEY, URETER, AND BLADDER: INCONTINENCE

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
European Patent Application. Vol. #386657,