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Substance Name: Ammonium, (2-(2-oxo-1,3,2-dioxaphosphorinan-2-ylthio)ethyl)trimethyl-, methanesulfonate
RN: 58607-64-0
InChIKey: XRVIOPHNBSLUMW-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C8-H19-N-O3-P-S.C-H3-O3-S

Molecular Weight

  • 335.3798
 
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Names and Synonyms

Synonym

  • 2-S-(2'-(N,N,N-Trimethylammonio)ethyl)thio-1,3,2-dioxaphosphorinane 2-oxide methanesulfonate

Systematic Name

  • Ammonium, (2-(2-oxo-1,3,2-dioxaphosphorinan-2-ylthio)ethyl)trimethyl-, methanesulfonate

Registry Numbers

CAS Registry Number

  • 58607-64-0

System Generated Number

  • 0058607640

Molecular Formulas

Molecular Formula

  • C8-H19-N-O3-P-S.C-H3-O3-S

Molecular Formula Fragments

  • C-H3-O3-S
  • C8-H19-N-O3-P-S
  • COMPONENT

Structure Descriptors

InChI

1S/C8H19NO3PS.CH4O3S/c1-9(2,3)5-8-14-13(10)11-6-4-7-12-13;1-5(2,3)4/h4-8H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1

InChIKey

XRVIOPHNBSLUMW-UHFFFAOYSA-M

Smiles

C[N+](C)(C)CCSP1(=O)OCCCO1.CS(=O)(=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 190mg/kg (190mg/kg)   Journal of Medicinal Chemistry. Vol. 19, Pg. 810, 1976.