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Substance Name: 8-(3-Pyridyl)theophylline
RN: 1029-62-5
InChIKey: XUYWNICQFANXQY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H11-N5-O2

Molecular Weight

  • 257.2519
 
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Names and Synonyms

Results Name

  • 8-(3-Pyridyl)theophylline

Synonyms

  • 8-(3-Pyridyl)theophylline
  • 8-beta-Piridilteofillina
  • 8-beta-Piridilteofillina [Italian]
  • 8-beta-Pyridyltheophylline
  • BRN 0621137
  • NSC 292894

Systematic Names

  • 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-(3-pyridinyl)- (9CI)
  • Theophylline, 8-(3-pyridyl)-

Registry Numbers

CAS Registry Number

  • 1029-62-5

System Generated Number

  • 0001029625

Structure Descriptors

InChI

1S/C12H11N5O2/c1-16-10-8(11(18)17(2)12(16)19)14-9(15-10)7-4-3-5-13-6-7/h3-6H,1-2H3,(H,14,15)

InChIKey

XUYWNICQFANXQY-UHFFFAOYSA-N

Smiles

Cn1c2c(c(=O)n(c1=O)C)nc([nH]2)c3cccnc3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 158mg/kg (158mg/kg) VASCULAR: REGIONAL OR GENERAL ARTERIOLAR OR VENOUS DILATION Bollettino Chimico Farmaceutico. Vol. 103, Pg. 641, 1964.
mouse LD50 oral 1gm/kg (1000mg/kg) VASCULAR: REGIONAL OR GENERAL ARTERIOLAR OR VENOUS DILATION Bollettino Chimico Farmaceutico. Vol. 103, Pg. 641, 1964.