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Substance Name: 1,3-Benzodioxole, 2-(2-(2-(diethylamino)ethoxy)ethyl)-4-methoxy-2-methyl-, citrate
RN: 100310-88-1
InChIKey: JVQDWHJSONHIIM-UHFFFAOYSA-N

Molecular Formula

  • C17-H27-N-O4.C6-H8-O7

Molecular Weight

  • 501.526
 
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Names and Synonyms

Synonym

  • 2-(2-(2-(Diethylamino)ethoxy)ethyl)-4-methoxy-2-methyl-1,3-benzodioxole citrate

Systematic Name

  • 1,3-Benzodioxole, 2-(2-(2-(diethylamino)ethoxy)ethyl)-4-methoxy-2-methyl-, citrate

Registry Numbers

CAS Registry Number

  • 100310-88-1

System Generated Number

  • 0100310881

Molecular Formulas

Molecular Formula

  • C17-H27-N-O4.C6-H8-O7

Molecular Formula Fragments

  • C17-H27-N-O4
  • C6-H8-O7
  • COMPONENT

Structure Descriptors

InChI

1S/C17H27NO4.C6H8O7/c1-5-18(6-2)11-13-20-12-10-17(3)21-15-9-7-8-14(19-4)16(15)22-17;7-2-6(4(10)11,5(12)13)1-3(8)9/h7-9H,5-6,10-13H2,1-4H3;7H,1-2H2,(H,8,9)(H,10,11)(H,12,13)

InChIKey

JVQDWHJSONHIIM-UHFFFAOYSA-N

Smiles

c12c(O[C@@](O2)(CCOCC[NH+](CC)CC)C)cccc1OC.C([C@@](C(O)=O)(C(=O)[O-])CO)C(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intravenous 9mg/kg (9mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 14, Pg. 94, 1979.