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Substance Name: 1,3-Benzodioxole, 2-(2-(2-(diethylamino)ethoxy)ethyl)-2-methyl-, citrate
RN: 100310-89-2
InChIKey: WBJWHWWKFZWJKH-UHFFFAOYSA-N

Molecular Formula

  • C16-H25-N-O3.C6-H8-O7

Molecular Weight

  • 471.5
 
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Names and Synonyms

Synonym

  • 2-(2-(2-(Diethylamino)ethoxy)ethyl)-2-methyl-1,3-benzodioxole citrate

Systematic Name

  • 1,3-Benzodioxole, 2-(2-(2-(diethylamino)ethoxy)ethyl)-2-methyl-, citrate

Registry Numbers

CAS Registry Number

  • 100310-89-2

System Generated Number

  • 0100310892

Molecular Formulas

Molecular Formula

  • C16-H25-N-O3.C6-H8-O7

Molecular Formula Fragments

  • C16-H25-N-O3
  • C6-H8-O7
  • COMPONENT

Structure Descriptors

InChI

1S/C16H25NO3.C6H8O7/c1-4-17(5-2)11-13-18-12-10-16(3)19-14-8-6-7-9-15(14)20-16;7-2-6(4(10)11,5(12)13)1-3(8)9/h6-9H,4-5,10-13H2,1-3H3;7H,1-2H2,(H,8,9)(H,10,11)(H,12,13)

InChIKey

WBJWHWWKFZWJKH-UHFFFAOYSA-N

Smiles

C([C@@](C(O)=O)(C([O-])=O)CO)C(O)=O.c12c(OC(O1)(CCOCC[NH+](CC)CC)C)cccc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intravenous 14mg/kg (14mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 14, Pg. 94, 1979.