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Substance Name: Acefylline sodium salt
RN: 837-27-4
UNII: WA8729994I
InChIKey: MSFVZSOKOXZSME-UHFFFAOYSA-M

Molecular Formulas

  • C9-H10-N4-O4.Na
  • C9-H9-N4-O4.Na

Molecular Weight

  • 260.1841
 
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Names and Synonyms

Name of Substance

  • Acefylline sodium salt

Synonyms

  • 1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-purine-7-acetic acid sodium salt
  • EINECS 212-652-5
  • Teofilina-acetico Na
  • Teofilina-acetico Na [Spanish]
  • UNII-WA8729994I

Systematic Names

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

Registry Numbers

CAS Registry Number

  • 837-27-4

FDA UNII

  • WA8729994I

Related Registry Number

  • 652-37-9 (Parent)

System Generated Number

  • 0000837274

Molecular Formulas

Molecular Formulas

  • C9-H10-N4-O4.Na
  • C9-H9-N4-O4.Na

Molecular Formula Fragments

  • C9-H10-N4-O4
  • C9-H9-N4-O4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C9H10N4O4.Na/c1-11-7-6(8(16)12(2)9(11)17)13(4-10-7)3-5(14)15;/h4H,3H2,1-2H3,(H,14,15);/q;+1/p-1

InChIKey

MSFVZSOKOXZSME-UHFFFAOYSA-M

Smiles

Cn1c2c(c(=O)n(c1=O)C)n(cn2)CC(=O)[O-].[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 9700mg/kg (9700mg/kg)   Bollettino Chimico Farmaceutico. Vol. 110, Pg. 653, 1971.