Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 1,3-Benzodioxole, 2-(2-(2-(diethylamino)ethoxy)ethyl)-2-phenyl-, citrate
RN: 100310-90-5
InChIKey: QCLGENWSXIGSJC-UHFFFAOYSA-N

Molecular Formula

  • C21-H27-N-O3.C6-H8-O7

Molecular Weight

  • 533.57
 
* 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-(2-(Diethylamino)ethoxy)ethyl)-2-phenyl-1,3-benzodioxole citrate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 100310-90-5

System Generated Number

  • 0100310905

Molecular Formulas

Molecular Formula

  • C21-H27-N-O3.C6-H8-O7

Molecular Formula Fragments

  • C21-H27-N-O3
  • C6-H8-O7
  • COMPONENT

Structure Descriptors

InChI

1S/C21H27NO3.C6H8O7/c1-3-22(4-2)15-17-23-16-14-21(18-10-6-5-7-11-18)24-19-12-8-9-13-20(19)25-21;7-2-6(4(10)11,5(12)13)1-3(8)9/h5-13H,3-4,14-17H2,1-2H3;7H,1-2H2,(H,8,9)(H,10,11)(H,12,13)

InChIKey

QCLGENWSXIGSJC-UHFFFAOYSA-N

Smiles

C1(c2ccccc2)(Oc2c(O1)cccc2)CCOCC[NH+](CC)CC.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 11mg/kg (11mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 14, Pg. 94, 1979.