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Substance Name: Salicylic acid, 3-phenylacetyl-, calcium(II) salt (2:1)
RN: 70145-59-4
InChIKey: CGEPBICJIQMCMY-UHFFFAOYSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C30-H22-O8.Ca

Molecular Weight

  • 550.5738
 
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Names and Synonyms

Synonym

  • 3-Phenylacetylsalicylic acid, calcium salt

Systematic Name

  • Salicylic acid, 3-phenylacetyl-, calcium(II) salt (2:1)

Registry Numbers

CAS Registry Number

  • 70145-59-4

System Generated Number

  • 0070145594

Molecular Formulas

Molecular Formula

  • C30-H22-O8.Ca

Molecular Formula Fragments

  • C30-H22-O8
  • Ca
  • COMPONENT

Structure Descriptors

InChI

1S/2C15H12O4.Ca/c2*16-13(9-10-5-2-1-3-6-10)11-7-4-8-12(14(11)17)15(18)19;/h2*1-8,17H,9H2,(H,18,19);/q;;+2/p-2

InChIKey

CGEPBICJIQMCMY-UHFFFAOYSA-L

Smiles

c1ccc(cc1)CC(=O)c2cccc(c2O)C(=O)[O-].c1ccc(cc1)CC(=O)c2cccc(c2O)C(=O)[O-].[Ca+2]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 250mg/kg (250mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 108, Pg. 450, 1953.