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Substance Name: Sodium caffeine benzoate
RN: 8000-95-1
InChIKey: JWBPVFVNISJVEM-UHFFFAOYSA-M

Classification Code

  • Reproductive Effect

Molecular Formula

  • C8-H10-N4-O2.C7-H5-O2.Na

Molecular Weight

  • 338.297
 
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Names and Synonyms

Results Name

  • Sodium caffeine benzoate

Synonyms

  • Annaca
  • Caffeine and sodium benzoate
  • Caffeine benzoate sodium
  • Caffeine sodium benzoate
  • Caffeine sodium benzoicum
  • Sodium benzoate and caffeine
  • Sodium caffeine benzoate

Systematic Names

  • Benzoic acid, sodium salt, mixt. with 3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione (9CI)
  • Caffeine and sodium benzoate

Registry Numbers

CAS Registry Number

  • 8000-95-1

Related Registry Number

  • 5743-17-9 (Parent)

System Generated Number

  • 0008000951

Molecular Formulas

Molecular Formula

  • C8-H10-N4-O2.C7-H5-O2.Na

Molecular Formula Fragments

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

Structure Descriptors

InChI

1S/C8H10N4O2.C7H6O2.Na/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2;8-7(9)6-4-2-1-3-5-6;/h4H,1-3H3;1-5H,(H,8,9);/q;;+1/p-1

InChIKey

JWBPVFVNISJVEM-UHFFFAOYSA-M

Smiles

c12c(n(c(n(c1=O)C)=O)C)ncn2C.c1(ccccc1)C(=O)[O-].[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
frog LD50 parenteral 900mg/kg (900mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Journal of Pharmacology and Experimental Therapeutics. Vol. 83, Pg. 1, 1945.
mouse LD50 intraperitoneal 525mg/kg (525mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 116, Pg. 343, 1956.
mouse LD50 oral 800mg/kg (800mg/kg)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 31, 1982.
rabbit LD50 intravenous 70mg/kg (70mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Pharmacology and Toxicology. English translation of FATOAO. Vol. 21, Pg. 1, 1958.
rat LD50 oral 860mg/kg (860mg/kg)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 31, 1982.