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Substance Name: 3-Benzofurancarboxylic acid, 5-methoxy-2-((thioureido)methyl)-, ethyl ester, hydrobromide
RN: 65919-85-9
InChIKey: FIYQFPDHPIRPPA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H16-N2-O4-S.Br-H

Molecular Weight

  • 389.268
 
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Names and Synonyms

Synonyms

  • 2-(3-Thioureamethyl)-3-carboethoxy-5-methoxybenzofuran hydrobromide
  • 5-Methoxy-2((thioureido)methyl)-3-benzofurancarboxylic acid ethyl ester hydrobromide

Systematic Name

  • 3-Benzofurancarboxylic acid, 5-methoxy-2-((thioureido)methyl)-, ethyl ester, hydrobromide

Registry Numbers

CAS Registry Number

  • 65919-85-9

System Generated Number

  • 0065919859

Molecular Formulas

Molecular Formula

  • C14-H16-N2-O4-S.Br-H

Molecular Formula Fragments

  • Br-H
  • C14-H16-N2-O4-S
  • COMPONENT

Structure Descriptors

InChI

1S/C14H16N2O4S.BrH/c1-3-19-13(17)12-9-6-8(18-2)4-5-10(9)20-11(12)7-16-14(15)21;/h4-6H,3,7H2,1-2H3,(H3,15,16,21);1H

InChIKey

FIYQFPDHPIRPPA-UHFFFAOYSA-N

Smiles

c1(c2c(ccc(c2)OC)oc1C[NH+]C(N)=S)C(OCC)=O.[BrH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 123mg/kg (123mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Pharmaceutical Chemistry Journal Vol. 11, Pg. 1635, 1977.