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Substance Name: Caffeine, 8-((2-hydroxyethyl)thio)-
RN: 114864-92-5
InChIKey: REVYYWXIURTZMT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H14-N4-O3-S

Molecular Weight

  • 270.312
 
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Names and Synonyms

Synonyms

  • 4-26-00-02735 (Beilstein Handbook Reference)
  • 8-((2-Hydroxyethyl)thio)caffeine
  • BRN 0385021

Systematic Name

  • Caffeine, 8-((2-hydroxyethyl)thio)-

Registry Numbers

CAS Registry Number

  • 114864-92-5

System Generated Number

  • 0114864925

Structure Descriptors

InChI

1S/C10H14N4O3S/c1-12-6-7(11-9(12)18-5-4-15)13(2)10(17)14(3)8(6)16/h15H,4-5H2,1-3H3

InChIKey

REVYYWXIURTZMT-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 392mg/kg (392mg/kg) BEHAVIORAL: EXCITEMENT

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)
Farmakologiya i Toksikologiya Vol. 23, Pg. 118, 1960.