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Substance Name: Ammonium, hexamethylenebis((carboxymethyl)dimethyl-, dichloride, dinonyl ester
RN: 18283-48-2
InChIKey: GSFRPQVUMJGKCO-UHFFFAOYSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C32-H66-N2-O4.2Cl

Molecular Weight

  • 613.789
 
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Names and Synonyms

Synonyms

  • 1,6-Hexanediamine, N,N'-dicarboxymethyl-N,N'-dimethyl-, dimethochloride, dinonyl ester
  • Hexamethylenebis((carboxymethyl)dimethylammonium), dichloride, dinonyl ester

Systematic Name

  • Ammonium, hexamethylenebis((carboxymethyl)dimethyl-, dichloride, dinonyl ester

Registry Numbers

CAS Registry Number

  • 18283-48-2

System Generated Number

  • 0018283482

Molecular Formulas

Molecular Formula

  • C32-H66-N2-O4.2Cl

Molecular Formula Fragments

  • C32-H66-N2-O4
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C32H66N2O4.2ClH/c1-7-9-11-13-15-19-23-27-37-31(35)29-33(3,4)25-21-17-18-22-26-34(5,6)30-32(36)38-28-24-20-16-14-12-10-8-2;;/h7-30H2,1-6H3;2*1H/q+2;;/p-2

InChIKey

GSFRPQVUMJGKCO-UHFFFAOYSA-L

Smiles

C([N+](CCCCCC[N+](CC(OCCCCCCCCC)=O)(C)C)(C)C)C(OCCCCCCCCC)=O.[ClH-].[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 parenteral 48mg/kg (48mg/kg)   Russian Pharmacology and Toxicology Vol. 33, Pg. 239, 1970.