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Substance Name: 11H-Dibenz(b,f)-1,4-oxathiepin-11-propanamine, N-methyl-, ethanedioate
RN: 82387-11-9
InChIKey: BLYDUCXITICPMK-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-(3-Methylaminopropyl)-11H-dibenzo(b,f)-1,4-oxathiepin hydrogen oxalate
  • N-Methyl-11H-dibenz(b,f)-1,4-oxathiepin-11-propanamine oxalate

Systematic Name

  • 11H-Dibenz(b,f)-1,4-oxathiepin-11-propanamine, N-methyl-, ethanedioate

Registry Numbers

CAS Registry Number

  • 82387-11-9

System Generated Number

  • 0082387119

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/c1-18-12-6-11-16-13-7-2-3-8-14(13)19-15-9-4-5-10-17(15)20-16;3-1(4)2(5)6/h2-5,7-10,16,18H,6,11-12H2,1H3;(H,3,4)(H,5,6)

InChIKey

BLYDUCXITICPMK-UHFFFAOYSA-N

Smiles

c12[C@@H](Sc3ccccc3Oc1cccc2)CCC[NH2+]C.C(C(=O)[O-])(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 39465ug/kg (39.465mg/kg) BEHAVIORAL: ATAXIA Collection of Czechoslovak Chemical Communications. Vol. 47, Pg. 967, 1982.
mouse LD50 oral 374mg/kg (374mg/kg) BEHAVIORAL: ATAXIA Collection of Czechoslovak Chemical Communications. Vol. 47, Pg. 967, 1982.