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Substance Name: Ethanamine, N-(4-((1,3-benzodioxol-5-yloxy)methyl)-1-methyl-2-pyrrolidinylidene)-2-phenoxy-, (E)-2-butenedioate (1:1)
RN: 94221-34-8
InChIKey: IZHRGIHMCPYNLY-KFOQHVKPSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H24-N2-O4.C4-H4-O4

Molecular Weight

  • 484.5022
 
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Names and Synonyms

Synonym

  • 1-Methyl-4-(3',4'-methylenedioxyphenoxymethyl)-2-(2-phenoxyethylimino)pyrrolidine fumarate

Systematic Name

  • Ethanamine, N-(4-((1,3-benzodioxol-5-yloxy)methyl)-1-methyl-2-pyrrolidinylidene)-2-phenoxy-, (E)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 94221-34-8

System Generated Number

  • 0094221348

Molecular Formulas

Molecular Formula

  • C21-H24-N2-O4.C4-H4-O4

Molecular Formula Fragments

  • C21-H24-N2-O4
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C21H24N2O4.C4H4O4/c1-23-13-16(14-25-18-7-8-19-20(12-18)27-15-26-19)11-21(23)22-9-10-24-17-5-3-2-4-6-17;5-3(6)1-2-4(7)8/h2-8,12,16H,9-11,13-15H2,1H3;1-2H,(H,5,6)(H,7,8)/b22-21+;2-1+

InChIKey

IZHRGIHMCPYNLY-KFOQHVKPSA-N

Smiles

N1(/C(=N/CCOc2ccccc2)CC(C1)COc1cc2c(OCO2)cc1)C.C(=O)(/C=C/C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 200mg/kg (200mg/kg)   United States Patent Document. Vol. #4556674,
mouse LDLo intraperitoneal 100mg/kg (100mg/kg)   United States Patent Document. Vol. #4556674,