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Substance Name: 7-Theophyllineethanol, alpha-(N-methylnicotinamidomethyl)-
RN: 69517-65-3
InChIKey: FZURPHWDTALDFA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H20-N6-O4

Molecular Weight

  • 372.383
 
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Names and Synonyms

Synonyms

  • 5-26-14-00056 (Beilstein Handbook Reference)
  • 7-(3-(N-Methylnicotinamidomethyl)-2-hydroxypropyl)theophylline
  • BRN 1184041
  • Purineethanol, 1,3-dimethyl-2,6-dioxo-alpha-(N-methylnicotinamidomethyl)-

Systematic Name

  • 7-Theophyllineethanol, alpha-(N-methylnicotinamidomethyl)-

Registry Numbers

CAS Registry Number

  • 69517-65-3

System Generated Number

  • 0069517653

Structure Descriptors

InChI

1S/C17H20N6O4/c1-20(15(25)11-5-4-6-18-7-11)8-12(24)9-23-10-19-14-13(23)16(26)22(3)17(27)21(14)2/h4-7,10,12,24H,8-9H2,1-3H3

InChIKey

FZURPHWDTALDFA-UHFFFAOYSA-N

Smiles

Cn1c2c(c(=O)n(c1=O)C)n(cn2)CC(CN(C)C(=O)c3cccnc3)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 778mg/kg (778mg/kg)   Chimica Therapeutica. Vol. 8, Pg. 634, 1973.