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Substance Name: o-Toluic acid, alpha-(phenylthio)-, 2-(dimethylamino)ethyl ester, hydrochloride
RN: 14188-02-4
InChIKey: UQXSSZKFPFRLOY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H21-N-O2-S.Cl-H

Molecular Weight

  • 351.896
 
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Names and Synonyms

Synonym

  • alpha-(Phenylthio)-o-toluic acid 2-(dimethylamino)ethyl ester hydrochloride

Systematic Name

  • o-Toluic acid, alpha-(phenylthio)-, 2-(dimethylamino)ethyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 14188-02-4

System Generated Number

  • 0014188024

Molecular Formulas

Molecular Formula

  • C18-H21-N-O2-S.Cl-H

Molecular Formula Fragments

  • C18-H21-N-O2-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C18H21NO2S.ClH/c1-19(2)12-13-21-18(20)17-11-7-6-8-15(17)14-22-16-9-4-3-5-10-16;/h3-11H,12-14H2,1-2H3;1H

InChIKey

UQXSSZKFPFRLOY-UHFFFAOYSA-N

Smiles

C(c1c(cccc1)CSc1ccccc1)(=O)OCCN(C)C.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 75mg/kg (75mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 32, Pg. 1738, 1967.