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Substance Name: Acetic acid, (o-carbamoyl)phenoxy-, calcium salt (2:1)
RN: 64046-41-9
InChIKey: LOPUUBCBNOEBQV-UHFFFAOYSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H16-N2-O8.Ca

Molecular Weight

  • 428.408
 
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Names and Synonyms

Synonym

  • Calcium (o-carbamoyl)phenoxyacetate (2:1)

Systematic Name

  • Acetic acid, (o-carbamoyl)phenoxy-, calcium salt (2:1)

Registry Numbers

CAS Registry Number

  • 64046-41-9

Related Registry Number

  • 25395-22-6 (Parent)

System Generated Number

  • 0064046419

Molecular Formulas

Molecular Formula

  • C18-H16-N2-O8.Ca

Molecular Formula Fragments

  • C18-H16-N2-O8
  • Ca
  • COMPONENT

Structure Descriptors

InChI

1S/2C9H9NO4.Ca/c2*11-6-10-7-3-1-2-4-8(7)14-5-9(12)13;/h2*1-4,6H,5H2,(H,10,11)(H,12,13);/q;;+2/p-2

InChIKey

LOPUUBCBNOEBQV-UHFFFAOYSA-L

Smiles

c1(c(cccc1)NC=O)OCC(=O)[O-].c1(c(cccc1)NC=O)OCC(=O)[O-].[Ca+2]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 1gm/kg (1000mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 108, Pg. 450, 1953.