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Substance Name: 11H-Dibenz(b,f)-1,4-oxathiepin-11-propanamine, 2-chloro-N,N-dimethyl-, ethanedioate
RN: 82387-07-3
InChIKey: FMFRXLNWRGIFSX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H20-Cl-N-O-S.C2-H2-O4

Molecular Weight

  • 423.915
 
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Names and Synonyms

Synonyms

  • 2-Chloro-11-(3-dimethylaminopropyl)-11H-dibenz(b,f)-1,4-oxathiepin hydrogen oxalate
  • 2-Chloro-N,N-dimethyl-11H-dibenz(b,f)-1,4-oxathiepin-11-propanamine oxalate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 82387-07-3

System Generated Number

  • 0082387073

Molecular Formulas

Molecular Formula

  • C18-H20-Cl-N-O-S.C2-H2-O4

Molecular Formula Fragments

  • C18-H20-Cl-N-O-S
  • C2-H2-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C18H20ClNOS.C2H2O4/c1-20(2)11-5-8-17-14-12-13(19)9-10-15(14)21-16-6-3-4-7-18(16)22-17;3-1(4)2(5)6/h3-4,6-7,9-10,12,17H,5,8,11H2,1-2H3;(H,3,4)(H,5,6)

InChIKey

FMFRXLNWRGIFSX-UHFFFAOYSA-N

Smiles

c12c(Oc3ccccc3S[C@@H]1CCC[NH+](C)C)ccc(Cl)c2.C(C(=O)[O-])(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo oral 635mg/kg (635mg/kg) BEHAVIORAL: ATAXIA Collection of Czechoslovak Chemical Communications. Vol. 47, Pg. 967, 1982.