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Substance Name: Benzo(c)thiophene-1-propylamine, 1,3-dihydro-1-phenyl-N,3,3-trimethyl-, 2,2-dioxide, oxalate
RN: 29140-43-0
InChIKey: URXHWNXOZUHIKE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H25-N-O2-S.C2-H2-O4

Molecular Weight

  • 433.522
 
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Names and Synonyms

Synonyms

  • 1,3-Dihydro-1-phenyl-N,3,3-trimethylbenzo(c)thiophene-1-propylamine 2,2-dioxide oxalate
  • LU 5-069 oxalate

Systematic Name

  • Benzo(c)thiophene-1-propylamine, 1,3-dihydro-1-phenyl-N,3,3-trimethyl-, 2,2-dioxide, oxalate

Registry Numbers

CAS Registry Number

  • 29140-43-0

System Generated Number

  • 0029140430

Molecular Formulas

Molecular Formula

  • C20-H25-N-O2-S.C2-H2-O4

Molecular Formula Fragments

  • C2-H2-O4
  • C20-H25-N-O2-S
  • COMPONENT

Structure Descriptors

InChI

1S/C20H25NO2S.C2H2O4/c1-19(2)17-12-7-8-13-18(17)20(24(19,22)23,14-9-15-21-3)16-10-5-4-6-11-16;3-1(4)2(5)6/h4-8,10-13,21H,9,14-15H2,1-3H3;(H,3,4)(H,5,6)

InChIKey

URXHWNXOZUHIKE-UHFFFAOYSA-N

Smiles

c12[C@@](c3ccccc3)(S(C(C)(C)c1cccc2)(=O)=O)CCC[NH2+]C.C(C(=O)[O-])(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 125mg/kg (125mg/kg)   Acta Pharmacologica et Toxicologica. Vol. 28, Pg. 241, 1970.