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Substance Name: Theophylline, 7-(2-hydroxyethyl)-8-(3-pyridylmethyl)-
RN: 28345-96-2
InChIKey: VHTUHGNVVZPWGO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H17-N5-O3

Molecular Weight

  • 315.3313
 
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Names and Synonyms

Synonyms

  • (Hydroxy-2'' ethyl)-7 (pyridyl-3' methyl)-8 theophylline
  • (Hydroxy-2'' ethyl)-7 (pyridyl-3' methyl)-8 theophylline [French]
  • 5-26-19-00156 (Beilstein Handbook Reference)
  • 7-(2-Hydroxyethyl)-8-(3-pyridylmethyl)theophylline
  • BRN 1167478
  • MDV 1

Systematic Name

  • Theophylline, 7-(2-hydroxyethyl)-8-(3-pyridylmethyl)-

Registry Numbers

CAS Registry Number

  • 28345-96-2

System Generated Number

  • 0028345962

Structure Descriptors

InChI

1S/C15H17N5O3/c1-18-13-12(14(22)19(2)15(18)23)20(6-7-21)11(17-13)8-10-4-3-5-16-9-10/h3-5,9,21H,6-8H2,1-2H3

InChIKey

VHTUHGNVVZPWGO-UHFFFAOYSA-N

Smiles

Cn1c2c(c(=O)n(c1=O)C)n(c(n2)Cc3cccnc3)CCO

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 140mg/kg (140mg/kg)   Therapie. Vol. 25, Pg. 683, 1970.