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Substance Name: 11H-Dibenzo(b,e)(1,4)dioxepin-11-ethanamine, 2-chloro-N,N-diethyl-, (E)-2-butenedioate (1:1)
RN: 81320-21-0
InChIKey: NWCALTMCTNFNHT-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H22-Cl-N-O2.C4-H4-O4

Molecular Weight

  • 447.9124
 
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Names and Synonyms

Synonyms

  • 2-Chloro-N,N-diethyl-11H-dibenzo(b,e)(1,4)dioxepin-11-ethanamine (E)-2-butenedioate (1:1)
  • N-Diethyl 2-(2-chlorodibenzo(b,e) 1,4-dioxepin-11-yl)ethylamine fumarate
  • N-Diethyl 2-(2-chlorodibenzo(b,e) 1,4-dioxepin-11-yl)ethylamine fumarate [French]

Systematic Name

  • 11H-Dibenzo(b,e)(1,4)dioxepin-11-ethanamine, 2-chloro-N,N-diethyl-, (E)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 81320-21-0

System Generated Number

  • 0081320210

Molecular Formulas

Molecular Formula

  • C19-H22-Cl-N-O2.C4-H4-O4

Molecular Formula Fragments

  • C19-H22-Cl-N-O2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C19H22ClNO2.C4H4O4/c1-3-21(4-2)12-11-17-15-13-14(20)9-10-16(15)22-18-7-5-6-8-19(18)23-17;5-3(6)1-2-4(7)8/h5-10,13,17H,3-4,11-12H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

NWCALTMCTNFNHT-WLHGVMLRSA-N

Smiles

CCN(CC)CCC1c2cc(ccc2Oc3ccccc3O1)Cl.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 80mg/kg (80mg/kg)   French Demande Patent Document. Vol. #2480283,
mouse LD50 oral 250mg/kg (250mg/kg)   French Demande Patent Document. Vol. #2480283,