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Substance Name: 1,3-Benzodioxole, 2-(2-(3-(diethylamino)propoxy)ethyl)-2-methyl-, citrate
RN: 100310-92-7
InChIKey: COUVZDAKMKJVID-UHFFFAOYSA-N

Molecular Formula

  • C17-H27-N-O3.C6-H8-O7

Molecular Weight

  • 485.526
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 100310-92-7

System Generated Number

  • 0100310927

Molecular Formulas

Molecular Formula

  • C17-H27-N-O3.C6-H8-O7

Molecular Formula Fragments

  • C17-H27-N-O3
  • C6-H8-O7
  • COMPONENT

Structure Descriptors

InChI

1S/C17H27NO3.C6H8O7/c1-4-18(5-2)12-8-13-19-14-11-17(3)20-15-9-6-7-10-16(15)21-17;7-2-6(4(10)11,5(12)13)1-3(8)9/h6-7,9-10H,4-5,8,11-14H2,1-3H3;7H,1-2H2,(H,8,9)(H,10,11)(H,12,13)

InChIKey

COUVZDAKMKJVID-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intravenous 13mg/kg (13mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 14, Pg. 94, 1979.