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Substance Name: Caffeine sodium salicylate
RN: 8002-85-5
InChIKey: MJZVAJZDKMFTBN-UHFFFAOYSA-M

Molecular Formula

  • C8-H10-N4-O2.C7-H5-O3.Na

Molecular Weight

  • 354.297
 
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Names and Synonyms

Results Name

  • Caffeine sodium salicylate

Synonyms

  • Caffeine sodium salicylate
  • Caffeine-sodium salicylate mixture

Systematic Names

  • Benzoic acid, 2-hydroxy-, monosodium salt, mixt. with 3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione
  • Sodium salicylate, compd. with caffeine (7CI)

Registry Numbers

CAS Registry Number

  • 8002-85-5

System Generated Number

  • 0008002855

Molecular Formulas

Molecular Formula

  • C8-H10-N4-O2.C7-H5-O3.Na

Molecular Formula Fragments

  • C7-H5-O3
  • C8-H10-N4-O2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C8H10N4O2.C7H6O3.Na/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2;8-6-4-2-1-3-5(6)7(9)10;/h4H,1-3H3;1-4,8H,(H,9,10);/q;;+1/p-1

InChIKey

MJZVAJZDKMFTBN-UHFFFAOYSA-M

Smiles

c12c(n(C)c(n(c2ncn1C)C)=O)=O.c1(c(cccc1)O)C(=O)[O-].[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LDLo intraarterial 150ug/kg (0.15mg/kg)   Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 131, Pg. 171, 1928.
guinea pig LDLo intravenous 150ug/kg (0.15mg/kg)   Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 131, Pg. 171, 1928.