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Substance Name: Ammonium, hexamethylenebis((carboxymethyl)dimethyl-, dichloride, diheptyl ester
RN: 7439-75-0
InChIKey: YJTZXPXLHXZXCR-UHFFFAOYSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C28-H58-N2-O4.2Cl

Molecular Weight

  • 557.682
 
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Names and Synonyms

Synonyms

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 7439-75-0

System Generated Number

  • 0007439750

Molecular Formulas

Molecular Formula

  • C28-H58-N2-O4.2Cl

Molecular Formula Fragments

  • C28-H58-N2-O4
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C28H58N2O4.2ClH/c1-7-9-11-15-19-23-33-27(31)25-29(3,4)21-17-13-14-18-22-30(5,6)26-28(32)34-24-20-16-12-10-8-2;;/h7-26H2,1-6H3;2*1H/q+2;;/p-2

InChIKey

YJTZXPXLHXZXCR-UHFFFAOYSA-L

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 parenteral 28mg/kg (28mg/kg)   Russian Pharmacology and Toxicology Vol. 33, Pg. 239, 1970.