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Substance Name: Ethanol, 2-((4-(2-benzofuranyl)-1-methyl-2-pyrrolidinylidene)amino)-, (E)-2-butenedioate (1:1) (salt)
RN: 94221-86-0
InChIKey: KQGYBOJSWIQKTQ-UGDAXESUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H18-N2-O2.C4-H4-O4

Molecular Weight

  • 374.3908
 
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Names and Synonyms

Synonym

  • 1-Methyl-4-(2-benzofuryl)-2-(2-hydroxyethylamino)pyrrolidine hydrogen fumarate

Systematic Name

  • Ethanol, 2-((4-(2-benzofuranyl)-1-methyl-2-pyrrolidinylidene)amino)-, (E)-2-butenedioate (1:1) (salt)

Registry Numbers

CAS Registry Number

  • 94221-86-0

System Generated Number

  • 0094221860

Molecular Formulas

Molecular Formula

  • C15-H18-N2-O2.C4-H4-O4

Molecular Formula Fragments

  • C15-H18-N2-O2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C15H18N2O2.C4H4O4/c1-17-10-12(9-15(17)16-6-7-18)14-8-11-4-2-3-5-13(11)19-14;5-3(6)1-2-4(7)8/h2-5,8,12,18H,6-7,9-10H2,1H3;1-2H,(H,5,6)(H,7,8)/b16-15+;2-1+

InChIKey

KQGYBOJSWIQKTQ-UGDAXESUSA-N

Smiles

c1(oc2c(c1)cccc2)C1CN(C(=N\CCO)\C1)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 200mg/kg (200mg/kg)   United States Patent Document. Vol. #4556674,