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Substance Name: 11H-Dibenzo(b,e)(1,4)dithiepin-11-propanamine, N,N-dimethyl-, ethanedioate (1:1)
RN: 81890-73-5
InChIKey: NHSGUJVGSKQLLR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H21-N-S2.C2-H2-O4

Molecular Weight

  • 405.5367
 
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Names and Synonyms

Synonyms

  • 11-(3-Dimethylaminopropyl)-11H-dibenzo(b,e)-1,4-dithiepin hydrogen oxalate
  • N,N-Dimethyl-11H-dibenzo(b,e)(1,4)dithiepin-11-propanamine oxalate

Systematic Name

  • 11H-Dibenzo(b,e)(1,4)dithiepin-11-propanamine, N,N-dimethyl-, ethanedioate (1:1)

Registry Numbers

CAS Registry Number

  • 81890-73-5

System Generated Number

  • 0081890735

Molecular Formulas

Molecular Formula

  • C18-H21-N-S2.C2-H2-O4

Molecular Formula Fragments

  • C18-H21-N-S2
  • C2-H2-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C18H21NS2.C2H2O4/c1-19(2)13-7-12-16-14-8-3-4-9-15(14)20-17-10-5-6-11-18(17)21-16;3-1(4)2(5)6/h3-6,8-11,16H,7,12-13H2,1-2H3;(H,3,4)(H,5,6)

InChIKey

NHSGUJVGSKQLLR-UHFFFAOYSA-N

Smiles

CN(C)CCCC1c2ccccc2Sc3ccccc3S1.C(=O)(C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo oral 643mg/kg (643mg/kg) BEHAVIORAL: ATAXIA Collection of Czechoslovak Chemical Communications. Vol. 47, Pg. 72, 1982.