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Substance Name: 11H-Dibenzo(b,e)(1,4)dioxepin-11-ethanamine, N-(1-methylethyl)-, (+-)-, (E)-2-butenedioate (1:1)
RN: 81320-46-9
InChIKey: CIPFJLOTTAAKNC-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H21-N-O2.C4-H4-O4

Molecular Weight

  • 399.4405
 
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Names and Synonyms

Synonyms

  • N-Isopropyl 2-(dibenzo(b,e) 1,4-dioxepin-11-yl)ethylamine fumarate
  • N-Isopropyl 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-methylethyl)-, (+-)-, (E)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 81320-46-9

System Generated Number

  • 0081320469

Molecular Formulas

Molecular Formula

  • C18-H21-N-O2.C4-H4-O4

Molecular Formula Fragments

  • C18-H21-N-O2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C18H21NO2.C4H4O4/c1-13(2)19-12-11-16-14-7-3-4-8-15(14)20-17-9-5-6-10-18(17)21-16;5-3(6)1-2-4(7)8/h3-10,13,16,19H,11-12H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

CIPFJLOTTAAKNC-WLHGVMLRSA-N

Smiles

CC(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,