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Substance Name: Propanoldiaminetetracetic acid
RN: 4408-81-5
InChIKey: XNCSCQSQSGDGES-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C11-H18-N2-O8

Molecular Weight

  • 306.269
 
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Names and Synonyms

Name of Substance

  • Propanoldiaminetetracetic acid

Synonyms

  • 1,2-Diaminopropanetetraacetic acid
  • 1,2-Propylenediamine tetraacetic acid
  • 3-04-00-01190 (Beilstein Handbook Reference)
  • BRN 2223855
  • CCRIS 1250
  • EINECS 224-559-7
  • MEDTA
  • PDTA
  • Propylenediamine tetra-acetic acid

Systematic Names

  • 1,2-Propylenediaminetetraacetic acid
  • Acetic acid, (propylenedinitrilo)tetra-
  • Glycine, N,N'-(1-methyl-1,2-ethanediyl)bis(N-(carboxymethyl)- (9CI)
  • Propane-1,2-dinitrilotetraacetic acid

Registry Numbers

CAS Registry Number

  • 4408-81-5

System Generated Number

  • 0004408815

Structure Descriptors

InChI

1S/C11H18N2O8/c1-7(13(5-10(18)19)6-11(20)21)2-12(3-8(14)15)4-9(16)17/h7H,2-6H2,1H3,(H,14,15)(H,16,17)(H,18,19)(H,20,21)

InChIKey

XNCSCQSQSGDGES-UHFFFAOYSA-N

Smiles

N([C@@H](C)CN(CC(O)=O)CC(O)=O)(CC(=O)O)CC(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 357mg/kg (357mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Arhiv za Higijenu Rada i Toksikologiju. Archives of Industrial Hygiene and Toxicology. Vol. 13, Pg. 295, 1962.