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Substance Name: 3-Benzofurancarboxylic acid, 4-((dimethylamino)methyl)-5-hydroxy-2-(p-tolylthio)-, ethyl ester, hydrochloride
RN: 100347-60-2
InChIKey: LULPSIUETKUDTC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H23-N-O4-S.Cl-H

Molecular Weight

  • 421.943
 
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Names and Synonyms

  • 3-Benzofurancarboxylic acid, 4-((dimethylamino)methyl)-5-hydroxy-2-(p-tolylthio)-, ethyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 100347-60-2

System Generated Number

  • 0100347602

Molecular Formulas

Molecular Formula

  • C21-H23-N-O4-S.Cl-H

Molecular Formula Fragments

  • C21-H23-N-O4-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C21H23NO4S.ClH/c1-5-25-20(24)19-18-15(12-22(3)4)16(23)10-11-17(18)26-21(19)27-14-8-6-13(2)7-9-14;/h6-11,23H,5,12H2,1-4H3;1H

InChIKey

LULPSIUETKUDTC-UHFFFAOYSA-N

Smiles

c12c(c(Sc3ccc(C)cc3)oc1ccc(c2C[NH+](C)C)O)C(OCC)=O.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 56mg/kg (56mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Pharmaceutical Chemistry Journal Vol. 11, Pg. 1635, 1977.