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Substance Name: o-Toluic acid, alpha-(phenylthio)-, 3-(dimethylamino)propyl ester, hydrochloride
RN: 14266-01-4
InChIKey: PBWLGXZYZLTFJJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H23-N-O2-S.Cl-H

Molecular Weight

  • 365.923
 
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Names and Synonyms

Synonym

  • alpha-(Phenylthio)-o-toluic acid 3-(dimethylamino)propyl ester hydrochloride

Systematic Name

  • o-Toluic acid, alpha-(phenylthio)-, 3-(dimethylamino)propyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 14266-01-4

System Generated Number

  • 0014266014

Molecular Formulas

Molecular Formula

  • C19-H23-N-O2-S.Cl-H

Molecular Formula Fragments

  • C19-H23-N-O2-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C19H23NO2S.ClH/c1-20(2)13-8-14-22-19(21)18-12-7-6-9-16(18)15-23-17-10-4-3-5-11-17;/h3-7,9-12H,8,13-15H2,1-2H3;1H

InChIKey

PBWLGXZYZLTFJJ-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 45mg/kg (45mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 32, Pg. 1738, 1967.