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Substance Name: Caffeine, 8-(p-aminobenzyl)-
RN: 5426-89-1
InChIKey: OSKJFYYILYDPAQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H17-N5-O2

Molecular Weight

  • 299.332
 
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Names and Synonyms

Synonyms

  • 4-26-00-04012 (Beilstein Handbook Reference)
  • 8-(p-Aminobenzyl)caffeine
  • BRN 0318628
  • NSC 14398

Systematic Name

  • Caffeine, 8-(p-aminobenzyl)-

Registry Numbers

CAS Registry Number

  • 5426-89-1

System Generated Number

  • 0005426891

Structure Descriptors

InChI

1S/C15H17N5O2/c1-18-11(8-9-4-6-10(16)7-5-9)17-13-12(18)14(21)20(3)15(22)19(13)2/h4-7H,8,16H2,1-3H3

InChIKey

OSKJFYYILYDPAQ-UHFFFAOYSA-N

Smiles

c12c(n(C)c(n1)Cc1ccc(N)cc1)c(n(C)c(n2C)=O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 210mg/kg (210mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 119, Pg. 107, 1957.
rat LD50 oral 383mg/kg (383mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 119, Pg. 107, 1957.