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Substance Name: Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-((chloroacetyl)amino)-, ethyl ester
RN: 60442-41-3
InChIKey: SYGWXPYGPAXVLL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H16-Cl-N-O3-S

Molecular Weight

  • 301.7924
 
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Names and Synonyms

Synonyms

  • 5-18-12-00222 (Beilstein Handbook Reference)
  • BRN 1433548
  • Ethyl 4,5,6,7-tetrahydro-2-((chloroacetyl)amino)benzo(b)thiophene-3-carboxylate

Systematic Names

  • Benzo(b)thiophene-3-carboxylic acid, 2-((chloroacetyl)amino)-4,5,6,7-tetrahydro-, ethyl ester
  • Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-((chloroacetyl)amino)-, ethyl ester

Registry Numbers

CAS Registry Number

  • 60442-41-3

System Generated Number

  • 0060442413

Structure Descriptors

InChI

1S/C13H16ClNO3S/c1-2-18-13(17)11-8-5-3-4-6-9(8)19-12(11)15-10(16)7-14/h2-7H2,1H3,(H,15,16)

InChIKey

SYGWXPYGPAXVLL-UHFFFAOYSA-N

Smiles

CCOC(=O)c1c2c(sc1NC(=O)CCl)CCCC2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intraperitoneal > 1gm/kg (1000mg/kg) SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)
European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 15, Pg. 413, 1980.