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Substance Name: Ammonium, hexamethylenebis((carboxymethyl)dimethyl-, dichloride, dihexadecyl ester
RN: 18277-83-3
InChIKey: WQROWESFEHPGCA-UHFFFAOYSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C46-H94-N2-O4.2Cl

Molecular Weight

  • 810.165
 
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Names and Synonyms

Synonyms

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 18277-83-3

System Generated Number

  • 0018277833

Molecular Formulas

Molecular Formula

  • C46-H94-N2-O4.2Cl

Molecular Formula Fragments

  • C46-H94-N2-O4
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C46H94N2O4.2ClH/c1-7-9-11-13-15-17-19-21-23-25-27-29-33-37-41-51-45(49)43-47(3,4)39-35-31-32-36-40-48(5,6)44-46(50)52-42-38-34-30-28-26-24-22-20-18-16-14-12-10-8-2;;/h7-44H2,1-6H3;2*1H/q+2;;/p-2

InChIKey

WQROWESFEHPGCA-UHFFFAOYSA-L

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 parenteral 57mg/kg (57mg/kg)   Russian Pharmacology and Toxicology Vol. 33, Pg. 239, 1970.