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Substance Name: Ammonium, (2-(3-oxo-1,2-benzisothiazolin-2-yl)ethyl)diethylmethyl-, dioxide, iodide
RN: 73651-46-4
InChIKey: BDXJQEUFJHHYFP-UHFFFAOYSA-M

Molecular Formula

  • C14-H21-N2-O3-S.I

Molecular Weight

  • 424.2969
 
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Names and Synonyms

Synonyms

  • (2-(3-Oxo-1,2-benzothiazolin-2-yl)ethyl)diethylmethylammonium dioxide iodide
  • NSC 45126

Systematic Names

  • 1,2-Benzisothiazole-2(3H)-ethanaminium, N,N-diethyl-N-methyl-3-oxo-, iodide, 1,1-dioxide (9CI)
  • Ammonium, (2-(3-oxo-1,2-benzisothiazolin-2-yl)ethyl)diethylmethyl-, dioxide, iodide

Registry Numbers

CAS Registry Number

  • 73651-46-4

System Generated Number

  • 0073651464

Molecular Formulas

Molecular Formula

  • C14-H21-N2-O3-S.I

Molecular Formula Fragments

  • C14-H21-N2-O3-S
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C14H21N2O3S.HI/c1-4-16(3,5-2)11-10-15-14(17)12-8-6-7-9-13(12)20(15,18)19;/h6-9H,4-5,10-11H2,1-3H3;1H/q+1;/p-1

InChIKey

BDXJQEUFJHHYFP-UHFFFAOYSA-M

Smiles

CC[N+](C)(CC)CCN1C(=O)c2ccccc2S1(=O)=O.[I-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 18mg/kg (18mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#04815,