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Substance Name: 11H-Dibenz(b,f)-1,4-oxathiepin-11-ethanamine, N,N-dimethyl-, ethanedioate
RN: 82387-03-9
InChIKey: VUWMOHMAZSLLTJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H19-N-O-S.C2-H2-O4

Molecular Weight

  • 375.443
 
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Names and Synonyms

Synonyms

  • 11-(2-Dimethylaminoethyl)-11H-dibenzo(b,f)-1,4-oxathiepin hydrogen oxalate
  • N,N-Dimethyl-11H-dibenz(b,f)-1,4-oxathiepin-11-ethanamine oxalate

Systematic Name

  • 11H-Dibenz(b,f)-1,4-oxathiepin-11-ethanamine, N,N-dimethyl-, ethanedioate

Registry Numbers

CAS Registry Number

  • 82387-03-9

System Generated Number

  • 0082387039

Molecular Formulas

Molecular Formula

  • C17-H19-N-O-S.C2-H2-O4

Molecular Formula Fragments

  • C17-H19-N-O-S
  • C2-H2-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C17H19NOS.C2H2O4/c1-18(2)12-11-16-13-7-3-4-8-14(13)19-15-9-5-6-10-17(15)20-16;3-1(4)2(5)6/h3-10,16H,11-12H2,1-2H3;(H,3,4)(H,5,6)

InChIKey

VUWMOHMAZSLLTJ-UHFFFAOYSA-N

Smiles

c12c(Oc3ccccc3S[C@@H]1CC[NH+](C)C)cccc2.C(C(=O)[O-])(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 299mg/kg (299mg/kg) BEHAVIORAL: ATAXIA Collection of Czechoslovak Chemical Communications. Vol. 47, Pg. 967, 1982.