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Substance Name: 1-Butanol, 1,1-bis((3,4-methylenedioxyphenoxy)methyl)-N,N-dimethyl-, citrate
RN: 64246-03-3
InChIKey: OZQZJIIUASJRIH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H27-N-O7.C6-H8-O7

Molecular Weight

  • 609.5775
 
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Names and Synonyms

Synonyms

  • 1,3-Bis-(3,4-metilendiossifenossi)-2-(3-dimetilaminopropil)propan-2-olo citrato
  • 1,3-Bis-(3,4-metilendiossifenossi)-2-(3-dimetilaminopropil)propan-2-olo citrato [Italian]

Systematic Name

  • 1-Butanol, 1,1-bis((3,4-methylenedioxyphenoxy)methyl)-N,N-dimethyl-, citrate

Registry Numbers

CAS Registry Number

  • 64246-03-3

System Generated Number

  • 0064246033

Molecular Formulas

Molecular Formula

  • C22-H27-N-O7.C6-H8-O7

Molecular Formula Fragments

  • C22-H27-N-O7
  • C6-H8-O7
  • COMPONENT

Structure Descriptors

InChI

1S/C22H27NO7.C6H8O7/c1-23(2)9-3-8-22(24,12-25-16-4-6-18-20(10-16)29-14-27-18)13-26-17-5-7-19-21(11-17)30-15-28-19;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-7,10-11,24H,3,8-9,12-15H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

InChIKey

OZQZJIIUASJRIH-UHFFFAOYSA-N

Smiles

CN(C)CCCC(COc1ccc2c(c1)OCO2)(COc3ccc4c(c3)OCO4)O.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 94mg/kg (94mg/kg)   Farmaco, Edizione Scientifica. Vol. 32, Pg. 502, 1977.
mouse LD50 oral 780mg/kg (780mg/kg)   Farmaco, Edizione Scientifica. Vol. 32, Pg. 502, 1977.