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Substance Name: 1-Piperidinebutanol, alpha,alpha-bis((3,4-(methylenedioxy)phenoxy)methyl)-, methylcarbamate (ester), citrate
RN: 64246-15-7
InChIKey: LXGBDFGXOHKVNL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H34-N2-O8.C6-H8-O7

Molecular Weight

  • 706.6938
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 64246-15-7

System Generated Number

  • 0064246157

Molecular Formulas

Molecular Formula

  • C27-H34-N2-O8.C6-H8-O7

Molecular Formula Fragments

  • C27-H34-N2-O8
  • C6-H8-O7
  • COMPONENT

Structure Descriptors

InChI

1S/C27H34N2O8.C6H8O7/c1-28-26(30)37-27(10-5-13-29-11-3-2-4-12-29,16-31-20-6-8-22-24(14-20)35-18-33-22)17-32-21-7-9-23-25(15-21)36-19-34-23;7-3(8)1-6(13,5(11)12)2-4(9)10/h6-9,14-15H,2-5,10-13,16-19H2,1H3,(H,28,30);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

InChIKey

LXGBDFGXOHKVNL-UHFFFAOYSA-N

Smiles

CNC(=O)OC(CCCN1CCCCC1)(COc2ccc3c(c2)OCO3)COc4ccc5c(c4)OCO5.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 30mg/kg (30mg/kg)   Farmaco, Edizione Scientifica. Vol. 32, Pg. 502, 1977.
mouse LD50 oral 510mg/kg (510mg/kg)   Farmaco, Edizione Scientifica. Vol. 32, Pg. 502, 1977.