Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Theophylline, 7-(2-((4-hydroxybenzoylmethyl)amino)ethyl)-
RN: 62402-11-3
InChIKey: NKVPGMFFZODHFI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H19-N5-O4

Molecular Weight

  • 357.3681
 
* 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

  • 5-26-14-00013 (Beilstein Handbook Reference)
  • 7-(2-((4-Hydroxybenzoylmethyl)amino)ethyl)theophylline
  • BRN 1178100
  • D 471

Systematic Name

  • Theophylline, 7-(2-((4-hydroxybenzoylmethyl)amino)ethyl)-

Registry Numbers

CAS Registry Number

  • 62402-11-3

System Generated Number

  • 0062402113

Structure Descriptors

InChI

1S/C17H19N5O4/c1-20-15-14(16(25)21(2)17(20)26)22(10-19-15)8-7-18-9-13(24)11-3-5-12(23)6-4-11/h3-6,10,18,23H,7-9H2,1-2H3

InChIKey

NKVPGMFFZODHFI-UHFFFAOYSA-N

Smiles

CN1C(=O)N(C)c2ncn(CCNCC(=O)c3ccc(O)cc3)c2C1=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 600mg/kg (600mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 27, Pg. 14, 1977.