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Substance Name: 1-Butanol, 4-dimethylamino-1,1-bis((3,4-(methylenedioxy)phenoxy)methyl)-, acetate, citrate
RN: 64246-05-5
InChIKey: QANHBESCIVASRX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H29-N-O8.C6-H8-O7

Molecular Weight

  • 651.614
 
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Names and Synonyms

Synonyms

  • 1,3-Bis-(3,4-metilendiossifenossi)-2-(3-dimetilamminopropil)-2-acetossipropano citrato
  • 4-Dimethylamino-1,1-bis((3,4-(methylenedioxy)phenoxy)methyl)-1-butanol acetate citrate

Systematic Name

  • 1-Butanol, 4-dimethylamino-1,1-bis((3,4-(methylenedioxy)phenoxy)methyl)-, acetate, citrate

Registry Numbers

CAS Registry Number

  • 64246-05-5

System Generated Number

  • 0064246055

Molecular Formulas

Molecular Formula

  • C24-H29-N-O8.C6-H8-O7

Molecular Formula Fragments

  • C24-H29-N-O8
  • C6-H8-O7
  • COMPONENT

Structure Descriptors

InChI

1S/C24H29NO8.C6H8O7/c1-17(26)33-24(9-4-10-25(2)3,13-27-18-5-7-20-22(11-18)31-15-29-20)14-28-19-6-8-21-23(12-19)32-16-30-21;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-8,11-12H,4,9-10,13-16H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

InChIKey

QANHBESCIVASRX-UHFFFAOYSA-N

Smiles

C(COc1cc2c(OCO2)cc1)(COc1cc2c(OCO2)cc1)(CCC[NH+](C)C)OC(C)=O.C(CC(O)=O)(CC(O)=O)(C(=O)[O-])O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 69mg/kg (69mg/kg)   Farmaco, Edizione Scientifica. Vol. 32, Pg. 502, 1977.
mouse LD50 oral 660mg/kg (660mg/kg)   Farmaco, Edizione Scientifica. Vol. 32, Pg. 502, 1977.