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Substance Name: Acetylcholine mustard
RN: 36375-30-1
InChIKey: XZICNJLDEMDMQZ-UHFFFAOYSA-N

Molecular Formula

  • C7-H14-Cl-N-O2

Molecular Weight

  • 179.646
 
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Names and Synonyms

Name of Substance

  • Acetylcholine mustard

Synonyms

  • 2-((2-Chloroethyl)methylamino)ethanol acetate
  • 3-04-00-00669 (Beilstein Handbook Reference)
  • BRN 1759495
  • Diethylamine, 2-acetoxy-2'-chloro-N-methyl-
  • Methyl-beta-acetoxyethyl-beta-chloroethylamine
  • Methylamine, N-acetoxyethyl-N-chloroethyl-
  • TL 1428

Systematic Names

  • 2-Chloroethylmethylaminoethyl acetate
  • Ethanol, 2-((2-chloroethyl)methylamino)-, acetate
  • Ethanol, 2-((2-chloroethyl)methylamino)-, acetate (ester)

Registry Numbers

CAS Registry Number

  • 36375-30-1

System Generated Number

  • 0036375301

Structure Descriptors

InChI

1S/C7H14ClNO2/c1-7(10)11-6-5-9(2)4-3-8/h3-6H2,1-2H3

InChIKey

XZICNJLDEMDMQZ-UHFFFAOYSA-N

Smiles

C(=O)(OCC[N@@](CCCl)C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LCLo inhalation 500mg/m3/10M (500mg/m3)   National Defense Research Committee, Office of Scientific Research and Development, Progress Report.Vol. 30101, Pg. 5, 1945.
mouse LD50 intravenous 9150ug/kg (9.15mg/kg) PERIPHERAL NERVE AND SENSATION: FASCICULATIONS

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Journal of Agricultural and Food Chemistry. Vol. 22, Pg. 873, 1974.
mouse LD50 subcutaneous 20mg/kg (20mg/kg)   National Technical Information Service. Vol. PB158-507,