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Substance Name: Benzoic acid, o-(benzylthio)-, 3-(dimethylamino)propyl ester, hydrochloride
RN: 14188-05-7
InChIKey: XFTAUJTYLXXSOK-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

  • o-(Benzylthio)benzoic acid 3-(dimethylamino)propyl ester hydrochloride

Systematic Name

  • Benzoic acid, o-(benzylthio)-, 3-(dimethylamino)propyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 14188-05-7

System Generated Number

  • 0014188057

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)17-11-6-7-12-18(17)23-15-16-9-4-3-5-10-16;/h3-7,9-12H,8,13-15H2,1-2H3;1H

InChIKey

XFTAUJTYLXXSOK-UHFFFAOYSA-N

Smiles

c1(c(cccc1)C(OCCC[NH+](C)C)=O)SCc1ccccc1.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 40mg/kg (40mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 32, Pg. 1738, 1967.