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Substance Name: Sulfonium, dimethyl(2-(tetrahydro-2H-pyran-2-yl)ethyl)-, salt with 4- methylbenzenesulfonic acid (1:1)
RN: 80519-34-2
InChIKey: XUHPNWSNXGFAOK-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H19-O-S.C7-H7-O3-S

Molecular Weight

  • 346.5094
 
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Names and Synonyms

  • Sulfonium, dimethyl(2-(tetrahydro-2H-pyran-2-yl)ethyl)-, salt with 4- methylbenzenesulfonic acid (1:1)

Registry Numbers

CAS Registry Number

  • 80519-34-2

System Generated Number

  • 0080519342

Molecular Formulas

Molecular Formula

  • C9-H19-O-S.C7-H7-O3-S

Molecular Formula Fragments

  • C7-H7-O3-S
  • C9-H19-O-S
  • COMPONENT

Structure Descriptors

InChI

1S/C9H19OS.C7H8O3S/c1-11(2)8-6-9-5-3-4-7-10-9;1-6-2-4-7(5-3-6)11(8,9)10/h9H,3-8H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1

InChIKey

XUHPNWSNXGFAOK-UHFFFAOYSA-M

Smiles

Cc1ccc(cc1)S(=O)(=O)[O-].C[S+](C)CCC1CCCCO1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 80mg/kg (80mg/kg)   United States Patent Document. Vol. #4581372,