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Substance Name: Theophylline, 8-(3-pyridylmethyl)-
RN: 28345-99-5
InChIKey: LSUBOYQHXPRSGC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H13-N5-O2

Molecular Weight

  • 271.2787
 
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Names and Synonyms

Synonyms

  • (Pyridyl-3' methyl)-8 theophylline
  • (Pyridyl-3' methyl)-8 theophylline [French]
  • 8-(3-Pyridylmethyl)theophylline
  • BRN 1221962
  • NV 4

Systematic Name

  • Theophylline, 8-(3-pyridylmethyl)-

Registry Numbers

CAS Registry Number

  • 28345-99-5

System Generated Number

  • 0028345995

Structure Descriptors

InChI

1S/C13H13N5O2/c1-17-11-10(12(19)18(2)13(17)20)15-9(16-11)6-8-4-3-5-14-7-8/h3-5,7H,6H2,1-2H3,(H,15,16)

InChIKey

LSUBOYQHXPRSGC-UHFFFAOYSA-N

Smiles

Cn1c2c(c(=O)n(c1=O)C)[nH]c(n2)Cc3cccnc3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 250mg/kg (250mg/kg)   Therapie. Vol. 25, Pg. 683, 1970.