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Substance Name: Edetate monocalcium
RN: 12264-18-5
UNII: 29C51EJ640
InChIKey: NVTRPRFAWJGJAJ-UHFFFAOYSA-L

Classification Code

  • Reproductive Effect

Molecular Formula

  • C10-H12-Ca-N2-O8.2H

Molecular Weight

  • 330.305
 
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Names and Synonyms

Name of Substance

  • Edetate monocalcium

Synonyms

  • Calcium EDTA complex
  • EINECS 235-534-5
  • UNII-29C51EJ640

Systematic Names

  • Acetic acid, (ethylenedinitrilo)tetra-, calcium (II) complex
  • Calciate(2-), ((ethylenedinitrilo)tetraacetato)-, dihydrogen (8CI)
  • Calciate(2-), ((N,N'-1,2-ethanediylbis(N-((carboxy-kappaO)methyl)glycinato-kappaN,kappaO))(4-))-, dihydrogen, (OC-6-21)-
  • Calcium dihydrogen ethylenediaminetetraacetate

Registry Numbers

CAS Registry Number

  • 12264-18-5

FDA UNII

  • 29C51EJ640

Other Registry Numbers

  • 12247-12-0
  • 1892-65-5

System Generated Number

  • 0012264185

Molecular Formulas

Molecular Formula

  • C10-H12-Ca-N2-O8.2H

Molecular Formula Fragments

  • C10-H12-Ca-N2-O8
  • COMPONENT
  • H

Structure Descriptors

InChI

1S/C10H16N2O8.Ca/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);/q;+2/p-2

InChIKey

NVTRPRFAWJGJAJ-UHFFFAOYSA-L

Smiles

C([N@@](CC(O)=O)CC(=O)[O-])C[N@](CC(O)=O)CC(=O)[O-].[Ca+2]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 573mg(Ca)/kg (573mg/kg)   Pathologie et Biologie. Vol. 11, Pg. 853, 1963.
rat LD50 oral 9250mg/kg (9250mg/kg)   CRC Critical Reviews in Toxicology. Vol. 20, Pg. 83, 1989.