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Substance Name: Acetic acid, chloro-, diester with methyldiethanolamine, hydrochloride
RN: 64046-43-1
InChIKey: QWTQOHRMBHDPGD-UHFFFAOYSA-N

Molecular Formula

  • C9-H15-Cl2-N-O4.Cl-H

Molecular Weight

  • 308.587
 
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Names and Synonyms

Synonyms

  • N,N-Bis-(2-(chloroacetoxy)ethyl)-N-methyl amine hydrochloride
  • S 42

Systematic Name

  • Acetic acid, chloro-, diester with methyldiethanolamine, hydrochloride

Registry Numbers

CAS Registry Number

  • 64046-43-1

System Generated Number

  • 0064046431

Molecular Formulas

Molecular Formula

  • C9-H15-Cl2-N-O4.Cl-H

Molecular Formula Fragments

  • C9-H15-Cl2-N-O4
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C9H15Cl2NO4.ClH/c1-12(2-4-15-8(13)6-10)3-5-16-9(14)7-11;/h2-7H2,1H3;1H

InChIKey

QWTQOHRMBHDPGD-UHFFFAOYSA-N

Smiles

[NH+](CCOC(CCl)=O)(CCOC(CCl)=O)C.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 247mg/kg (247mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

GASTROINTESTINAL: OTHER CHANGES
Journal of the National Cancer Institute. Vol. 31, Pg. 297, 1963.