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Substance Name: Pyrrolidine, 1-(1,3-bis(3,4-(methylenedioxy)phenoxy)-2-propyl)-, citrate
RN: 64246-01-1
InChIKey: PSLPHELFEITGIC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H23-N-O6.C6-H8-O7

Molecular Weight

  • 577.5359
 
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Names and Synonyms

Synonyms

  • 1,3-Bis-(3,4-metilendiossifenossi)-2-pirrolidinopropano citrato
  • 1,3-Bis-(3,4-metilendiossifenossi)-2-pirrolidinopropano citrato [Italian]
  • 1-(1,3-Bis(3,4-(methylenedioxy)phenoxy)-2-propyl)pyrrolidine citrate

Systematic Name

  • Pyrrolidine, 1-(1,3-bis(3,4-(methylenedioxy)phenoxy)-2-propyl)-, citrate

Registry Numbers

CAS Registry Number

  • 64246-01-1

System Generated Number

  • 0064246011

Molecular Formulas

Molecular Formula

  • C21-H23-N-O6.C6-H8-O7

Molecular Formula Fragments

  • C21-H23-N-O6
  • C6-H8-O7
  • COMPONENT

Structure Descriptors

InChI

1S/C21H23NO6.C6H8O7/c1-2-8-22(7-1)15(11-23-16-3-5-18-20(9-16)27-13-25-18)12-24-17-4-6-19-21(10-17)28-14-26-19;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-6,9-10,15H,1-2,7-8,11-14H2;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

InChIKey

PSLPHELFEITGIC-UHFFFAOYSA-N

Smiles

c1cc2c(cc1OCC(COc3ccc4c(c3)OCO4)N5CCCC5)OCO2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 58mg/kg (58mg/kg)   Farmaco, Edizione Scientifica. Vol. 32, Pg. 502, 1977.
mouse LD50 oral 195mg/kg (195mg/kg)   Farmaco, Edizione Scientifica. Vol. 32, Pg. 502, 1977.