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Substance Name: Sulfonium, (3-hydroxyphenyl)dimethyl-, methylsulfate, methylcarbamate
RN: 4109-64-2
InChIKey: MCVGYBBNVPTENO-UHFFFAOYSA-N

Molecular Formula

  • C10-H14-N-O2-S.C-H3-O4-S

Molecular Weight

  • 323.388
 
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Names and Synonyms

Synonyms

  • Carbamic acid, N-methyl-, 3-methylthiophenyl ester, methosulfate
  • Sulfonium, (3-(methylcarbamoyloxy)phenyl)dimethyl-, methylsulfate
  • TL-1306

Systematic Name

  • Sulfonium, (3-hydroxyphenyl)dimethyl-, methylsulfate, methylcarbamate

Registry Numbers

CAS Registry Number

  • 4109-64-2

System Generated Number

  • 0004109642

Molecular Formulas

Molecular Formula

  • C10-H14-N-O2-S.C-H3-O4-S

Molecular Formula Fragments

  • C-H3-O4-S
  • C10-H14-N-O2-S
  • COMPONENT

Structure Descriptors

InChI

1S/C10H13NO2S.CH4O4S/c1-11-10(12)13-8-5-4-6-9(7-8)14(2)3;1-5-6(2,3)4/h4-7H,1-3H3;1H3,(H,2,3,4)

InChIKey

MCVGYBBNVPTENO-UHFFFAOYSA-N

Smiles

C(Oc1cccc([S+](C)C)c1)(=O)NC.O(C)S(=O)(=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 370ug/kg (0.37mg/kg) BEHAVIORAL: COMA

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION
National Technical Information Service. Vol. PB158-508,