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Substance Name: Caffeine, 8-((2-aminoethyl)thio)-
RN: 6493-24-9
InChIKey: FUOYEJAXPJNZTJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H15-N5-O2-S

Molecular Weight

  • 269.328
 
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Names and Synonyms

Synonyms

  • 4-26-00-02736 (Beilstein Handbook Reference)
  • 8-((2-Aminoethyl)thio)caffeine
  • BRN 0385020

Systematic Name

  • Caffeine, 8-((2-aminoethyl)thio)-

Registry Numbers

CAS Registry Number

  • 6493-24-9

System Generated Number

  • 0006493249

Structure Descriptors

InChI

1S/C10H15N5O2S/c1-13-6-7(12-9(13)18-5-4-11)14(2)10(17)15(3)8(6)16/h4-5,11H2,1-3H3

InChIKey

FUOYEJAXPJNZTJ-UHFFFAOYSA-N

Smiles

c12c(n(C)c(n1)SCCN)c(n(C)c(n2C)=O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 470mg/kg (470mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Farmakologiya i Toksikologiya Vol. 23, Pg. 118, 1960.