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Substance Name: Theophylline, 7-(2-nicotinamidoethyl)-
RN: 70454-26-1
InChIKey: OYGQOFGOKQNKOK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H16-N6-O3

Molecular Weight

  • 328.3304
 
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Names and Synonyms

Synonyms

  • 5-26-14-00014 (Beilstein Handbook Reference)
  • 7-(2-Nicotinamidoethyl)theophylline
  • BRN 1172291

Systematic Name

  • Theophylline, 7-(2-nicotinamidoethyl)-

Registry Numbers

CAS Registry Number

  • 70454-26-1

System Generated Number

  • 0070454261

Structure Descriptors

InChI

1S/C15H16N6O3/c1-19-12-11(14(23)20(2)15(19)24)21(9-18-12)7-6-17-13(22)10-4-3-5-16-8-10/h3-5,8-9H,6-7H2,1-2H3,(H,17,22)

InChIKey

OYGQOFGOKQNKOK-UHFFFAOYSA-N

Smiles

CN1C(=O)N(C)c2ncn(CCNC(=O)c3cccnc3)c2C1=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 500mg/kg (500mg/kg)   Farmaco, Edizione Scientifica. Vol. 34, Pg. 284, 1979.
mouse LD50 oral > 1gm/kg (1000mg/kg)   Farmaco, Edizione Scientifica. Vol. 34, Pg. 284, 1979.