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Substance Name: Sulfonium, butylmethyl((tetrahydro-2-furanyl)methyl)-, salt with 4- methylbenzenesulfonic acid (1:1)
RN: 80518-75-8
InChIKey: YIUWMQBGNZUMGX-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H21-O-S.C7-H7-O3-S

Molecular Weight

  • 360.5362
 
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Names and Synonyms

  • Sulfonium, butylmethyl((tetrahydro-2-furanyl)methyl)-, salt with 4- methylbenzenesulfonic acid (1:1)

Registry Numbers

CAS Registry Number

  • 80518-75-8

System Generated Number

  • 0080518758

Molecular Formulas

Molecular Formula

  • C10-H21-O-S.C7-H7-O3-S

Molecular Formula Fragments

  • C10-H21-O-S
  • C7-H7-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C10H21OS.C7H8O3S/c1-3-4-8-12(2)9-10-6-5-7-11-10;1-6-2-4-7(5-3-6)11(8,9)10/h10H,3-9H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1

InChIKey

YIUWMQBGNZUMGX-UHFFFAOYSA-M

Smiles

CCCC[S+](C)CC1CCCO1.Cc1ccc(cc1)S(=O)(=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 90mg/kg (90mg/kg)   United States Patent Document. Vol. #4581372,