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Substance Name: Pyrrolidine, 1-(2-(6,11-dihydrodibenz(b,e)oxepin-6-yl)ethyl)-, (+-)-, (E)-2-butenedioate (1:1)
RN: 86640-22-4
InChIKey: HHLIQTHMINOAFJ-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H23-N-O.C4-H4-O4

Molecular Weight

  • 409.4793
 
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Names and Synonyms

Synonym

  • (+-)-1-(2-(6,11-Dihydrodibenz(b,e)oxepin-6-yl)ethyl)pyrrolidine

Systematic Name

  • Pyrrolidine, 1-(2-(6,11-dihydrodibenz(b,e)oxepin-6-yl)ethyl)-, (+-)-, (E)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 86640-22-4

System Generated Number

  • 0086640224

Molecular Formulas

Molecular Formula

  • C20-H23-N-O.C4-H4-O4

Molecular Formula Fragments

  • C20-H23-N-O
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C20H23NO.C4H4O4/c1-3-9-18-16(7-1)15-17-8-2-4-10-19(17)22-20(18)11-14-21-12-5-6-13-21;5-3(6)1-2-4(7)8/h1-4,7-10,20H,5-6,11-15H2;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

HHLIQTHMINOAFJ-WLHGVMLRSA-N

Smiles

c1ccc2c(c1)Cc3ccccc3OC2CCN4CCCC4.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,