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Substance Name: Theophylline sodium
RN: 3485-82-3
UNII: 5OIB3Y3T0J
InChIKey: QVGLHVDBDYLFON-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C7-H8-N4-O2.Na

Molecular Weight

  • 202.1483
 
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Names and Synonyms

Results Name

  • Theophylline sodium

Name of Substance

  • Theophylline sodium

Synonyms

  • 1,3-Dimethylxanthine sodium salt
  • EINECS 222-472-9
  • Sodium theophylline
  • Sodium thiophyllinate
  • Theophylline sodium
  • UNII-5OIB3Y3T0J

Systematic Names

  • 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-, sodium salt
  • 1H-Purine-2,6-dione, 3,9-dihydro-1,3-dimethyl-, sodium salt (1:1)
  • 3,7-Dihydro-1,3-dimethyl-1H-purine-2,6-dione, sodium salt
  • Theophylline, sodium deriv.

Registry Numbers

CAS Registry Number

  • 3485-82-3

FDA UNII

  • 5OIB3Y3T0J

Other Registry Numbers

  • 101706-04-1
  • 30880-83-2

System Generated Number

  • 0003485823

Molecular Formulas

Molecular Formula

  • C7-H8-N4-O2.Na

Molecular Formula Fragments

  • C7-H8-N4-O2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C7H8N4O2.Na/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;/h3H,1-2H3,(H,8,9,12);/q;+1/p-1

InChIKey

QVGLHVDBDYLFON-UHFFFAOYSA-M

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 subcutaneous 192mg/kg (192mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 4, Pg. 649, 1954.
mouse LD50 intravenous 171mg/kg (171mg/kg)   Research Progress in Organic-Biological and Medicinal Chemistry. Vol. 2, Pg. 335, 1970.
mouse LD50 oral 445mg/kg (445mg/kg)   United States Patent Document. Vol. #4325956,
mouse LD50 subcutaneous 189mg/kg (189mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 4, Pg. 649, 1954.
rat LDLo oral 200mg/kg (200mg/kg)   Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 35, Pg. 266, 1946.