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Substance Name: Lithium benzoate [NF]
RN: 553-54-8
UNII: R9Z042Z19E
InChIKey: LDJNSLOKTFFLSL-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C7-H6-O2.Li

Molecular Weight

  • 128.055
 
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Names and Synonyms

Name of Substance

  • Lithium benzoate [NF]

Synonyms

  • Benzoic acid, lithium salt
  • EINECS 209-042-6
  • Lithium benzoate
  • UNII-R9Z042Z19E

Systematic Names

  • Benzoic acid, lithium salt
  • Benzoic acid, lithium salt (1:1)
  • Lithium benzoate

Registry Numbers

CAS Registry Number

  • 553-54-8

FDA UNII

  • R9Z042Z19E

System Generated Number

  • 0000553548

Molecular Formulas

Molecular Formula

  • C7-H6-O2.Li

Molecular Formula Fragments

  • C7-H6-O2
  • COMPONENT
  • Li

Structure Descriptors

InChI

1S/C7H6O2.Li/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H,8,9);/q;+1/p-1

InChIKey

LDJNSLOKTFFLSL-UHFFFAOYSA-M

Smiles

c1(ccccc1)C(=O)[O-].[Li+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1198mg/kg (1198mg/kg)   Russian Pharmacology and Toxicology Vol. 33, Pg. 266, 1970.
mouse LD50 subcutaneous 964mg/kg (964mg/kg)   Russian Pharmacology and Toxicology Vol. 33, Pg. 266, 1970.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -2.270 (none)   EST
Water Solubility 2.50E+05 mg/L   EXP
Atmospheric OH Rate Constant 1.78E-12 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.