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Substance Name: Calcium DTPA
RN: 2531-75-1
UNII: W0655Y0HSJ
InChIKey: BHRQIJRLOVHRKH-UHFFFAOYSA-L

Classification Code

  • Mutation Data

Molecular Formulas

  • C14-H22-N3-O10.Ca
  • C14-H23-N3-O10.Ca

Molecular Weight

  • 431.409
 
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Names and Synonyms

Name of Substance

  • Calcium DTPA

MeSH Heading

  • Pentetic acid

Synonyms

  • Ca-DTPA
  • Calcium diethylene triamine pentaacetate
  • Calcium diethylenetriaminepentaacetic acid
  • Calcium DIPA
  • Diethylenetriaminepentaacetic acid, calcium salt
  • EINECS 219-790-5
  • UNII-W0655Y0HSJ

Systematic Names

  • Calcium N,N-bis(2-(bis(carboxymethyl)amino)ethyl)glycinate (1:1)
  • Glycine, N,N-bis(2-(bis(carboxymethyl)amino)ethyl)-, calcium salt

Registry Numbers

CAS Registry Number

  • 2531-75-1

FDA UNII

  • W0655Y0HSJ

Other Registry Number

  • 15168-13-5

System Generated Number

  • 0002531751

Molecular Formulas

Molecular Formulas

  • C14-H22-N3-O10.Ca
  • C14-H23-N3-O10.Ca

Molecular Formula Fragments

  • C14-H22-N3-O10
  • C14-H23-N3-O10
  • Ca
  • COMPONENT

Structure Descriptors

InChI

InChI=1S/C14H23N3O10.Ca/c18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17(8-13(24)25)9-14(26)27;/h1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27);/q;+2/p-2

InChIKey

BHRQIJRLOVHRKH-UHFFFAOYSA-L

Smiles

[Ca+2].OC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)[O-])CC(=O)[O-])CC(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 3200mg/kg (3200mg/kg)   Revue d'Epidemiologie, Medecine Sociale et Sante Publique. Vol. 10, Pg. 391, 1962.