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Substance Name: 1,3-Benzodioxole-2-acetamide, N-(2-diethylaminoethyl)-2,5-dimethyl-, citrate
RN: 50836-29-8
InChIKey: UWLQIDKGVUKVHU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H26-N2-O3.C6-H10-O5

Molecular Weight

  • 498.526
 
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Names and Synonyms

Synonym

  • N-(2-Diethylaminoethyl)-2,5-dimethyl-1,3-benzodioxole-2-acetamide citrate

Systematic Name

  • 1,3-Benzodioxole-2-acetamide, N-(2-diethylaminoethyl)-2,5-dimethyl-, citrate

Registry Numbers

CAS Registry Number

  • 50836-29-8

System Generated Number

  • 0050836298

Molecular Formulas

Molecular Formula

  • C17-H26-N2-O3.C6-H10-O5

Molecular Formula Fragments

  • C17-H26-N2-O3
  • C6-H10-O5
  • COMPONENT

Structure Descriptors

InChI

1S/C17H26N2O3.C6H8O7/c1-5-19(6-2)10-9-18-16(20)12-17(4)21-14-8-7-13(3)11-15(14)22-17;7-3(8)1-6(13,5(11)12)2-4(9)10/h7-8,11H,5-6,9-10,12H2,1-4H3,(H,18,20);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

InChIKey

UWLQIDKGVUKVHU-UHFFFAOYSA-N

Smiles

c12c(O[C@@](O1)(CC(NCCN(CC)CC)=O)C)ccc(c2)C.C(CC(CC(O)=O)(C(=O)O)O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 280mg/kg (280mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 11, Pg. 539, 1976.
rat LD50 intravenous 45mg/kg (45mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 11, Pg. 539, 1976.