Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 7-Theophyllineethanol, alpha-(N-methylnicotinoyloxyethylaminomethyl)-
RN: 51920-73-1
InChIKey: FCWYHNPIADNOEV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H24-N6-O5

Molecular Weight

  • 416.4356
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonyms

  • 7-(3-(N-Methylnicotinyloxyethylamino)-2-hydroxypropyl)theophylline
  • BRN 1189716

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 51920-73-1

System Generated Number

  • 0051920731

Structure Descriptors

InChI

1S/C19H24N6O5/c1-22(7-8-30-18(28)13-5-4-6-20-9-13)10-14(26)11-25-12-21-16-15(25)17(27)24(3)19(29)23(16)2/h4-6,9,12,14,26H,7-8,10-11H2,1-3H3

InChIKey

FCWYHNPIADNOEV-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 485mg/kg (485mg/kg)   Chimica Therapeutica. Vol. 8, Pg. 634, 1973.