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Substance Name: Theophylline, 7-(2-(hexadecylamino)ethyl)-
RN: 52943-52-9
InChIKey: RGKLYNQJTINBKG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H45-N5-O2

Molecular Weight

  • 447.6635
 
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Names and Synonyms

Synonyms

  • 1H-Purine-2,6-dione, 7-(2-(hexadecylamino)ethyl)-3,7-dihydro-1,3-dimethyl-
  • 5-26-14-00004 (Beilstein Handbook Reference)
  • 7-(2-(Hexadecylamino)ethyl)theophylline
  • BRN 1179768

Systematic Name

  • Theophylline, 7-(2-(hexadecylamino)ethyl)-

Registry Numbers

CAS Registry Number

  • 52943-52-9

System Generated Number

  • 0052943529

Structure Descriptors

InChI

1S/C25H45N5O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26-19-20-30-21-27-23-22(30)24(31)29(3)25(32)28(23)2/h21,26H,4-20H2,1-3H3

InChIKey

RGKLYNQJTINBKG-UHFFFAOYSA-N

Smiles

CCCCCCCCCCCCCCCCNCCn1cnc2N(C)C(=O)N(C)C(=O)c12

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 850mg/kg (850mg/kg)   Annales Pharmaceutiques Francaises. Vol. 31, Pg. 751, 1973.