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Substance Name: Benzoic acid, o-(benzylthio)-, 2-(dimethylamino)ethyl ester, hydrochloride
RN: 15150-16-0
InChIKey: RPHNCFOEIKYYJR-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

  • o-(Benzylthio)benzoic acid 2-(dimethylamino)ethyl ester hydrochloride

Systematic Name

  • Benzoic acid, o-(benzylthio)-, 2-(dimethylamino)ethyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 15150-16-0

System Generated Number

  • 0015150160

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)16-10-6-7-11-17(16)22-14-15-8-4-3-5-9-15;/h3-11H,12-14H2,1-2H3;1H

InChIKey

RPHNCFOEIKYYJR-UHFFFAOYSA-N

Smiles

c1(c(SCc2ccccc2)cccc1)C(OCC[NH+](C)C)=O.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 50mg/kg (50mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 32, Pg. 1738, 1967.