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Substance Name: Sulfonium, (3-cyclohexyl-3-hydroxy-3-phenylpropyl)dimethyl-, iodide
RN: 110055-40-8
InChIKey: WFVREAQRYRBXDW-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H27-O-S.I

Molecular Weight

  • 406.3653
 
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Names and Synonyms

Synonym

  • (3-Cyclohexyl-3-hydroxy-3-phenylpropyl)dimethylsulfonium iodide

Systematic Name

  • Sulfonium, (3-cyclohexyl-3-hydroxy-3-phenylpropyl)dimethyl-, iodide

Registry Numbers

CAS Registry Number

  • 110055-40-8

System Generated Number

  • 0110055408

Molecular Formulas

Molecular Formula

  • C17-H27-O-S.I

Molecular Formula Fragments

  • C17-H27-O-S
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C17H27OS.HI/c1-19(2)14-13-17(18,15-9-5-3-6-10-15)16-11-7-4-8-12-16;/h3,5-6,9-10,16,18H,4,7-8,11-14H2,1-2H3;1H/q+1;/p-1

InChIKey

WFVREAQRYRBXDW-UHFFFAOYSA-M

Smiles

C[S+](C)CCC(c1ccccc1)(C2CCCCC2)O.[I-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 6500ug/kg (6.5mg/kg)   Cesko-Slovenska Farmacie. Vol. 3, Pg. 238, 1954.