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Substance Name: 11H-Dibenzo(b,e)(1,4)dioxepin-11-ethanamine, N-(1-methylpropyl)-, (E)-2-butenedioate (1:1)
RN: 81320-40-3
InChIKey: YUAZOJBHJAHNJC-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H23-N-O2.C4-H4-O4

Molecular Weight

  • 413.4673
 
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Names and Synonyms

Synonyms

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 81320-40-3

System Generated Number

  • 0081320403

Molecular Formulas

Molecular Formula

  • C19-H23-N-O2.C4-H4-O4

Molecular Formula Fragments

  • C19-H23-N-O2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C19H23NO2.C4H4O4/c1-3-14(2)20-13-12-17-15-8-4-5-9-16(15)21-18-10-6-7-11-19(18)22-17;5-3(6)1-2-4(7)8/h4-11,14,17,20H,3,12-13H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

YUAZOJBHJAHNJC-WLHGVMLRSA-N

Smiles

CCC(C)NCCC1c2ccccc2Oc3ccccc3O1.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,