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Substance Name: Dibenz(b,e)oxepin-6-ethanamine, 6,11-dihydro-N,N-dimethyl-, (+-)-, (E)-2-butenedioate (1:1)
RN: 86640-20-2
InChIKey: GJOPBNTZYNJTKU-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H21-N-O.C4-H4-O4

Molecular Weight

  • 383.4415
 
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Names and Synonyms

Synonyms

  • (+-)-6,11-Dihydro-N,N-dimethyldibenz(b,e)oxepin-6-ethanamine
  • dl-6-(2-N-Dimethylaminoethyl)-dibenzo(b,e)oxepine fumarate

Systematic Name

  • Dibenz(b,e)oxepin-6-ethanamine, 6,11-dihydro-N,N-dimethyl-, (+-)-, (E)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 86640-20-2

System Generated Number

  • 0086640202

Molecular Formulas

Molecular Formula

  • C18-H21-N-O.C4-H4-O4

Molecular Formula Fragments

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

Structure Descriptors

InChI

1S/C18H21NO.C4H4O4/c1-19(2)12-11-18-16-9-5-3-7-14(16)13-15-8-4-6-10-17(15)20-18;5-3(6)1-2-4(7)8/h3-10,18H,11-13H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

GJOPBNTZYNJTKU-WLHGVMLRSA-N

Smiles

CN(C)CCC1c2ccccc2Cc3ccccc3O1.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)   United States Patent Document. Vol. #4496557,
mouse LD50 oral 250mg/kg (250mg/kg)   United States Patent Document. Vol. #4496557,