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Substance Name: Benzo(b)thiophene-3-carboxylic acid, 2-(dimethylamino)-2-methylpropyl ester, hydrochloride
RN: 85179-98-2
InChIKey: HAYXKRNMCCWTCG-UHFFFAOYSA-N

Molecular Formula

  • C15-H19-N-O2-S.Cl-H

Molecular Weight

  • 313.847
 
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Names and Synonyms

Synonym

  • 2-(Dimethylamino)-2-methylpropyl benzo(b)thiophene-3-carboxylate hydrochloride

Systematic Name

  • Benzo(b)thiophene-3-carboxylic acid, 2-(dimethylamino)-2-methylpropyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 85179-98-2

System Generated Number

  • 0085179982

Molecular Formulas

Molecular Formula

  • C15-H19-N-O2-S.Cl-H

Molecular Formula Fragments

  • C15-H19-N-O2-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C15H19NO2S.ClH/c1-15(2,16(3)4)10-18-14(17)12-9-19-13-8-6-5-7-11(12)13;/h5-9H,10H2,1-4H3;1H

InChIKey

HAYXKRNMCCWTCG-UHFFFAOYSA-N

Smiles

c12c(C(OCC([NH+](C)C)(C)C)=O)csc1cccc2.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 274mg/kg (274mg/kg)   Journal of Pharmaceutical Sciences. Vol. 72, Pg. 198, 1983.