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Substance Name: 1-Piperidinebutanol, alpha,alpha-bis((3,4-(methylenedioxy)phenoxy)methyl)-, citrate
RN: 64246-11-3
InChIKey: LZTCHHRADSRKJQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H31-N-O7.C6-H8-O7

Molecular Weight

  • 649.6421
 
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Names and Synonyms

Synonym

  • alpha,alpha-Bis((3,4-(methylenedioxy)phenoxy)methyl)-1-piperidinebutanol citrate

Systematic Name

  • 1-Piperidinebutanol, alpha,alpha-bis((3,4-(methylenedioxy)phenoxy)methyl)-, citrate

Registry Numbers

CAS Registry Number

  • 64246-11-3

System Generated Number

  • 0064246113

Molecular Formulas

Molecular Formula

  • C25-H31-N-O7.C6-H8-O7

Molecular Formula Fragments

  • C25-H31-N-O7
  • C6-H8-O7
  • COMPONENT

Structure Descriptors

InChI

1S/C25H31NO7.C6H8O7/c27-25(9-4-12-26-10-2-1-3-11-26,15-28-19-5-7-21-23(13-19)32-17-30-21)16-29-20-6-8-22-24(14-20)33-18-31-22;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-8,13-14,27H,1-4,9-12,15-18H2;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

InChIKey

LZTCHHRADSRKJQ-UHFFFAOYSA-N

Smiles

c1cc2c(cc1OCC(CCCN3CCCCC3)(COc4ccc5c(c4)OCO5)O)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 31mg/kg (31mg/kg)   Farmaco, Edizione Scientifica. Vol. 32, Pg. 502, 1977.
mouse LD50 oral 620mg/kg (620mg/kg)   Farmaco, Edizione Scientifica. Vol. 32, Pg. 502, 1977.