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Substance Name: Benzo(b)thiophene-2-carboxylic acid, 4,5,6,7-tetrahydro-2-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-, ethyl ester, hydrochloride
RN: 85462-80-2
InChIKey: VUYCWLUWQBWZAE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H29-N-O4-S.Cl-H

Molecular Weight

  • 391.957
 
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Names and Synonyms

  • Benzo(b)thiophene-2-carboxylic acid, 4,5,6,7-tetrahydro-2-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-, ethyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 85462-80-2

System Generated Number

  • 0085462802

Molecular Formulas

Molecular Formula

  • C18-H29-N-O4-S.Cl-H

Molecular Formula Fragments

  • C18-H29-N-O4-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C18H29NO4S.ClH/c1-5-22-17(21)16-15(13-8-6-7-9-14(13)24-16)23-11-12(20)10-19-18(2,3)4;/h12,19-20H,5-11H2,1-4H3;1H

InChIKey

VUYCWLUWQBWZAE-UHFFFAOYSA-N

Smiles

c1(c2c(CCCC2)sc1C(OCC)=O)OC[C@@H](C[NH2+]C(C)(C)C)O.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 140mg/kg (140mg/kg)   Archiv der Pharmazie Vol. 316, Pg. 537, 1983.
mouse LD50 intravenous 31800ug/kg (31.8mg/kg)   Archiv der Pharmazie Vol. 316, Pg. 537, 1983.