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Substance Name: 11H-Dibenz(b,f)-1,4-oxathiepin-11-ethanamine, N-methyl-, ethanedioate
RN: 82387-09-5
InChIKey: JEILQYZJCYDQNO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H17-N-O-S.C2-H2-O4

Molecular Weight

  • 361.416
 
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Names and Synonyms

Synonyms

  • 11-(2-Methylaminoethyl)-11H-dibenz(b,f)-1,4-oxathiepin hydrogen oxalate
  • N-Methyl-11H-dibenz(b,f)-1,4-oxathiepin-11-ethanamine ethanedioate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 82387-09-5

System Generated Number

  • 0082387095

Molecular Formulas

Molecular Formula

  • C16-H17-N-O-S.C2-H2-O4

Molecular Formula Fragments

  • C16-H17-N-O-S
  • C2-H2-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C16H17NOS.C2H2O4/c1-17-11-10-15-12-6-2-3-7-13(12)18-14-8-4-5-9-16(14)19-15;3-1(4)2(5)6/h2-9,15,17H,10-11H2,1H3;(H,3,4)(H,5,6)

InChIKey

JEILQYZJCYDQNO-UHFFFAOYSA-N

Smiles

c12c(Oc3ccccc3S[C@@H]1CC[NH2+]C)cccc2.C(C(=O)[O-])(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 330mg/kg (330mg/kg) BEHAVIORAL: ATAXIA Collection of Czechoslovak Chemical Communications. Vol. 47, Pg. 967, 1982.