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Substance Name: Theophylline, 7-(2-(dodecylamino)ethyl)-
RN: 52943-53-0
InChIKey: SMZXNZSBMIOIRF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H37-N5-O2

Molecular Weight

  • 391.5563
 
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Names and Synonyms

Synonyms

  • 1H-Purine-2,6-dione, 7-(2-(dodecylamino)ethyl)-3,7-dihydro-1,3-dimethyl-
  • 5-26-14-00004 (Beilstein Handbook Reference)
  • 7-(2-(Dodecylamino)ethyl)theophylline
  • BRN 1171279

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 52943-53-0

System Generated Number

  • 0052943530

Structure Descriptors

InChI

1S/C21H37N5O2/c1-4-5-6-7-8-9-10-11-12-13-14-22-15-16-26-17-23-19-18(26)20(27)25(3)21(28)24(19)2/h17,22H,4-16H2,1-3H3

InChIKey

SMZXNZSBMIOIRF-UHFFFAOYSA-N

Smiles

CCCCCCCCCCCCNCCn1cnc2N(C)C(=O)N(C)C(=O)c12

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 340mg/kg (340mg/kg)   Annales Pharmaceutiques Francaises. Vol. 31, Pg. 751, 1973.