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Substance Name: Dibenz(b,e)(1,4)oxazepine-11-ethanamine, 5,11-dihydro-N,N,5-trimethyl-, (+-)-, (E)-2-butenedioate (1:1)
RN: 86640-30-4
InChIKey: BAHDULFTGHMQNR-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H22-N2-O.C4-H4-O4

Molecular Weight

  • 398.4564
 
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Names and Synonyms

Synonym

  • dl-11-(2-N-Dimethylaminoethyl)-5-methyl-dibenzo(b,e)(1,4)oxazepine fumarate

Systematic Name

  • Dibenz(b,e)(1,4)oxazepine-11-ethanamine, 5,11-dihydro-N,N,5-trimethyl-, (+-)-, (E)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 86640-30-4

System Generated Number

  • 0086640304

Molecular Formulas

Molecular Formula

  • C18-H22-N2-O.C4-H4-O4

Molecular Formula Fragments

  • C18-H22-N2-O
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C18H22N2O.C4H4O4/c1-19(2)13-12-17-14-8-4-5-9-15(14)20(3)16-10-6-7-11-18(16)21-17;5-3(6)1-2-4(7)8/h4-11,17H,12-13H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

BAHDULFTGHMQNR-WLHGVMLRSA-N

Smiles

CN1c2ccccc2C(Oc3c1cccc3)CCN(C)C.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,