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Substance Name: Theophylline, 7-(2,3-dihydroxypropyl)-8-(3-pyridylmethyl)-
RN: 28345-97-3
InChIKey: AGBXEAQAOHJACV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H19-N5-O4

Molecular Weight

  • 345.3571
 
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Names and Synonyms

Synonyms

  • (Dioxy-2'',3'' propyl)-7 (pyridyl-3' methyl)-8 theophylline
  • (Dioxy-2'',3'' propyl)-7 (pyridyl-3' methyl)-8 theophylline [French]
  • 5-26-19-00156 (Beilstein Handbook Reference)
  • 7-(2,3-Dihydroxypropyl)-8-(3-pyridylmethyl)theophylline
  • BRN 1178180
  • MDV 2

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 28345-97-3

System Generated Number

  • 0028345973

Structure Descriptors

InChI

1S/C16H19N5O4/c1-19-14-13(15(24)20(2)16(19)25)21(8-11(23)9-22)12(18-14)6-10-4-3-5-17-7-10/h3-5,7,11,22-23H,6,8-9H2,1-2H3

InChIKey

AGBXEAQAOHJACV-UHFFFAOYSA-N

Smiles

Cn1c2c(c(=O)n(c1=O)C)n(c(n2)Cc3cccnc3)CC(CO)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 190mg/kg (190mg/kg)   Therapie. Vol. 25, Pg. 683, 1970.