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Substance Name: Pyrrolidine, 1-((5-chloro-3a,12b-dihydrodibenzo(b,f)-1,3-dioxolo(4,5-d)oxepin-2-yl)methyl)-, hydrochloride
RN: 84646-84-4
InChIKey: ZGEKCUMEHMOTMZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H20-Cl-N-O3.Cl-H

Molecular Weight

  • 394.2959
 
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Names and Synonyms

Synonym

  • 2-(Pyrrolidinomethyl)-5-chlorodibenz(2,3:6,7)-3a,12b-dihydrooxepin(4,5-d)-1,3-dioxolane HCl

Systematic Name

  • Pyrrolidine, 1-((5-chloro-3a,12b-dihydrodibenzo(b,f)-1,3-dioxolo(4,5-d)oxepin-2-yl)methyl)-, hydrochloride

Registry Numbers

CAS Registry Number

  • 84646-84-4

System Generated Number

  • 0084646844

Molecular Formulas

Molecular Formula

  • C20-H20-Cl-N-O3.Cl-H

Molecular Formula Fragments

  • C20-H20-Cl-N-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C20H20ClNO3.ClH/c21-13-7-8-17-15(11-13)20-19(14-5-1-2-6-16(14)23-17)24-18(25-20)12-22-9-3-4-10-22;/h1-2,5-8,11,18-20H,3-4,9-10,12H2;1H

InChIKey

ZGEKCUMEHMOTMZ-UHFFFAOYSA-N

Smiles

c1ccc2c(c1)C3C(c4cc(ccc4O2)Cl)OC(O3)CN5CCCC5.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 933mg/kg (933mg/kg)   Farmaco, Edizione Scientifica. Vol. 37, Pg. 711, 1982.