Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 1,3-Benzodioxole-2-acetic acid, 2-phenyl-, 2-(2-diethylaminoethoxy)ethyl ester, citrate
RN: 50836-16-3
InChIKey: LOQOEYDWULYNNG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H29-N-O5.C6-H10-O5

Molecular Weight

  • 591.606
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonym

  • 2-(2-Diethylaminoethoxy)ethyl 2-phenyl-1,3-benzodioxole-2-acetate citrate

Systematic Name

  • 1,3-Benzodioxole-2-acetic acid, 2-phenyl-, 2-(2-diethylaminoethoxy)ethyl ester, citrate

Registry Numbers

CAS Registry Number

  • 50836-16-3

System Generated Number

  • 0050836163

Molecular Formulas

Molecular Formula

  • C23-H29-N-O5.C6-H10-O5

Molecular Formula Fragments

  • C23-H29-N-O5
  • C6-H10-O5
  • COMPONENT

Structure Descriptors

InChI

1S/C23H29NO5.C6H8O7/c1-3-24(4-2)14-15-26-16-17-27-22(25)18-23(19-10-6-5-7-11-19)28-20-12-8-9-13-21(20)29-23;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-13H,3-4,14-18H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

InChIKey

LOQOEYDWULYNNG-UHFFFAOYSA-N

Smiles

C1(c2ccccc2)(Oc2c(O1)cccc2)CC(OCCOCCN(CC)CC)=O.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 90mg/kg (90mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 11, Pg. 539, 1976.
rat LD50 intravenous 12mg/kg (12mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 11, Pg. 539, 1976.