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Substance Name: Choline, chloride, 5-chloro-3-methyl-4-isothiazolecarboxylate
RN: 22131-66-4
InChIKey: BKEXMHLZBZXDTL-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H16-Cl-N2-O2-S.Cl

Molecular Weight

  • 301.236
 
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Names and Synonyms

Synonym

  • Ethanaminium, 2-(((5-chloro-3-methyl-4-isothiazolyl)carbonyl)oxy)-N,N,N-trimethyl-, chloride

Systematic Name

  • Choline, chloride, 5-chloro-3-methyl-4-isothiazolecarboxylate

Registry Numbers

CAS Registry Number

  • 22131-66-4

System Generated Number

  • 0022131664

Molecular Formulas

Molecular Formula

  • C10-H16-Cl-N2-O2-S.Cl

Molecular Formula Fragments

  • C10-H16-Cl-N2-O2-S
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C10H18ClN2O2S.ClH/c1-8-10(11,7-16-12-8)9(14)15-6-5-13(2,3)4;/h5-7H2,1-4H3;1H/q+1;/p-1

InChIKey

BKEXMHLZBZXDTL-UHFFFAOYSA-M

Smiles

[N+](CCOC(=O)[C@@]1(C(=NSC1)C)Cl)(C)(C)C.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 619mg/kg (619mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

BEHAVIORAL: IRRITABILITY
Archivum Immunologiae et Therapiae Experimentalis. Vol. 21, Pg. 329, 1973.