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Substance Name: 3-Benzofurancarboxylic acid, 4-chloro-6-(diethylaminomethyl)-5-hydroxy-2-methyl-, ethyl ester
RN: 55831-71-5
InChIKey: JESDSQFJPIFGTL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H22-Cl-N-O4

Molecular Weight

  • 339.817
 
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Names and Synonyms

Synonym

  • 4-Chloro-6-(diethylaminomethyl)-5-hydroxy-2-methyl-3-benzofurancarboxylic acid ethyl ester

Systematic Name

  • 3-Benzofurancarboxylic acid, 4-chloro-6-(diethylaminomethyl)-5-hydroxy-2-methyl-, ethyl ester

Registry Numbers

CAS Registry Number

  • 55831-71-5

System Generated Number

  • 0055831715

Structure Descriptors

InChI

1S/C17H22ClNO4/c1-5-19(6-2)9-11-8-12-14(15(18)16(11)20)13(10(4)23-12)17(21)22-7-3/h8,20H,5-7,9H2,1-4H3

InChIKey

JESDSQFJPIFGTL-UHFFFAOYSA-N

Smiles

c12c(c(C)oc1cc(CN(CC)CC)c(c2Cl)O)C(OCC)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 450mg/kg (450mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Pharmaceutical Chemistry Journal Vol. 13, Pg. 252, 1979.