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Substance Name: 11H-Dibenz(b,f)-1,4-oxathiepin-11-propanamine, N,N-dimethyl-, ethanedioate, hydrate (2:2:1)
RN: 82387-05-1
InChIKey: UKHVIJHVCLILCS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H21-N-O-S.C2-H2-O4.1/2H2-O

Molecular Weight

  • 389.47
 
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Names and Synonyms

Synonyms

  • 11-(3-Dimethylaminopropyl)-11H-dibenz(b,f)-1,4-oxathiepin hydrogen oxalate hemihydrate
  • N,N-Dimethyl-11H-dibenz(b,f)-1,4-oxathiepin-11-propanamine oxalate hydrate (2:2:1)

Systematic Name

  • 11H-Dibenz(b,f)-1,4-oxathiepin-11-propanamine, N,N-dimethyl-, ethanedioate, hydrate (2:2:1)

Registry Numbers

CAS Registry Number

  • 82387-05-1

System Generated Number

  • 0082387051

Molecular Formulas

Molecular Formula

  • C18-H21-N-O-S.C2-H2-O4.1/2H2-O

Molecular Formula Fragments

  • C18-H21-N-O-S
  • C2-H2-O4
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C18H21NOS.C2H2O4/c1-19(2)13-7-12-17-14-8-3-4-9-15(14)20-16-10-5-6-11-18(16)21-17;3-1(4)2(5)6/h3-6,8-11,17H,7,12-13H2,1-2H3;(H,3,4)(H,5,6)

InChIKey

UKHVIJHVCLILCS-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 496mg/kg (496mg/kg) BEHAVIORAL: ATAXIA Collection of Czechoslovak Chemical Communications. Vol. 47, Pg. 967, 1982.