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Substance Name: Magnesium 7-theophyllineacetate
RN: 38953-16-1
InChIKey: TYERUTUVDKNUGR-UHFFFAOYSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formulas

  • C18-H18-N8-O8.Mg
  • C9-H10-N4-O4.1/2Mg

Molecular Weight

  • 498.693
 
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Names and Synonyms

Results Name

  • Magnesium 7-theophyllineacetate

Synonyms

  • EINECS 254-216-7
  • Magnesium 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-1-purine-7-acetate
  • Magnesium 7-theophyllineacetate
  • Theophylline 7 acetate de magnesium
  • Theophylline 7 acetate de magnesium [French]

Systematic Names

  • 7H-1-Purine-7-acetic acid, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-, magnesium salt
  • Magnesium 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-acetate

Registry Numbers

CAS Registry Number

  • 38953-16-1

System Generated Number

  • 0038953161

Molecular Formulas

Molecular Formulas

  • C18-H18-N8-O8.Mg
  • C9-H10-N4-O4.1/2Mg

Molecular Formula Fragments

  • C18-H18-N8-O8
  • C9-H10-N4-O4
  • COMPONENT
  • Mg

Structure Descriptors

InChI

1S/2C9H10N4O4.Mg/c2*1-11-7-6(8(16)12(2)9(11)17)13(4-10-7)3-5(14)15;/h2*4H,3H2,1-2H3,(H,14,15);/q;;+2/p-2

InChIKey

TYERUTUVDKNUGR-UHFFFAOYSA-L

Smiles

c12c(c(n(C)c(n1C)=O)=O)n(cn2)CC([O-])=O.c12c(c(=O)n(c(n1C)=O)C)n(CC(=O)[O-])cn2.[Mg+2]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 5gm/kg (5000mg/kg)   French Demande Patent Document. Vol. #2096978,