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Substance Name: Ammonium, hexamethylenebis((carboxymethyl)dimethyl-, dichloride, dioctyl ester
RN: 30100-40-4
InChIKey: NCCXDNVUJSSRKM-UHFFFAOYSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C30-H62-N2-O4.2Cl

Molecular Weight

  • 585.736
 
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Names and Synonyms

Synonyms

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 30100-40-4

System Generated Number

  • 0030100404

Molecular Formulas

Molecular Formula

  • C30-H62-N2-O4.2Cl

Molecular Formula Fragments

  • C30-H62-N2-O4
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C30H62N2O4.2ClH/c1-7-9-11-13-17-21-25-35-29(33)27-31(3,4)23-19-15-16-20-24-32(5,6)28-30(34)36-26-22-18-14-12-10-8-2;;/h7-28H2,1-6H3;2*1H/q+2;;/p-2

InChIKey

NCCXDNVUJSSRKM-UHFFFAOYSA-L

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 parenteral 36mg/kg (36mg/kg)   Russian Pharmacology and Toxicology Vol. 33, Pg. 239, 1970.