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Substance Name: Theophylline, 7-(2-(octadecylamino)ethyl)-
RN: 52943-51-8
InChIKey: WXFAZRDCAIZMKF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H49-N5-O2

Molecular Weight

  • 475.7171
 
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Names and Synonyms

Synonyms

  • 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-(octadecylamino)ethyl)-
  • 5-26-14-00004 (Beilstein Handbook Reference)
  • 7-(2-(Octadecylamino)ethyl)theophylline
  • BRN 1182856

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 52943-51-8

System Generated Number

  • 0052943518

Structure Descriptors

InChI

1S/C27H49N5O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-28-21-22-32-23-29-25-24(32)26(33)31(3)27(34)30(25)2/h23,28H,4-22H2,1-3H3

InChIKey

WXFAZRDCAIZMKF-UHFFFAOYSA-N

Smiles

CCCCCCCCCCCCCCCCCCNCCn1cnc2N(C)C(=O)N(C)C(=O)c12

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1gm/kg (1000mg/kg)   Annales Pharmaceutiques Francaises. Vol. 31, Pg. 751, 1973.