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Substance Name: 11H-Dibenz(b,e)(1,4)oxathiepin-11-propanamine, 2-chloro-N,N,11-trimethyl-, ethanedioate (1:1)
RN: 83986-10-1
InChIKey: BJFROJDRJPMFOS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H22-Cl-N-O-S.C2-H2-O4

Molecular Weight

  • 437.942
 
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Names and Synonyms

Synonyms

  • 2-Chloro-N,N,11-trimethyl-11H-dibenz(b,e)(1,4)oxathiepin-11-propanamine oxalate
  • 8-Chloro-6-methyl-6-(3-dimethylaminopropyl)-6H-dibenz(b,e)-1,4-oxathiepin hydrogen oxalate

Systematic Name

  • 11H-Dibenz(b,e)(1,4)oxathiepin-11-propanamine, 2-chloro-N,N,11-trimethyl-, ethanedioate (1:1)

Registry Numbers

CAS Registry Number

  • 83986-10-1

System Generated Number

  • 0083986101

Molecular Formulas

Molecular Formula

  • C19-H22-Cl-N-O-S.C2-H2-O4

Molecular Formula Fragments

  • C19-H22-Cl-N-O-S
  • C2-H2-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C19H22ClNOS.C2H2O4/c1-19(11-6-12-21(2)3)15-13-14(20)9-10-16(15)22-17-7-4-5-8-18(17)23-19;3-1(4)2(5)6/h4-5,7-10,13H,6,11-12H2,1-3H3;(H,3,4)(H,5,6)

InChIKey

BJFROJDRJPMFOS-UHFFFAOYSA-N

Smiles

c12[C@@](Sc3ccccc3Oc1ccc(c2)Cl)(CCC[NH+](C)C)C.C(C(=O)[O-])(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 700mg/kg (700mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 47, Pg. 3077, 1982.