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Substance Name: 1,3-Benzodioxole-2-acetic acid, 2-phenyl-, (2-morpholinoethoxy)ethyl ester, oxalate
RN: 50836-20-9
InChIKey: CTAGRISHSLYWMZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H27-N-O6.C2-H2-O4

Molecular Weight

  • 503.501
 
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Names and Synonyms

Synonyms

  • (2-Morpholinoethoxy)ethyl 2-phenyl-1,3-benzodioxole-2-acetate oxalate
  • 2-Phenyl-1,3-benzodioxole-2-acetic acid 2-(2-morpholinoethoxy)ethyl ester

Systematic Name

  • 1,3-Benzodioxole-2-acetic acid, 2-phenyl-, (2-morpholinoethoxy)ethyl ester, oxalate

Registry Numbers

CAS Registry Number

  • 50836-20-9

System Generated Number

  • 0050836209

Molecular Formulas

Molecular Formula

  • C23-H27-N-O6.C2-H2-O4

Molecular Formula Fragments

  • C2-H2-O4
  • C23-H27-N-O6
  • COMPONENT

Structure Descriptors

InChI

1S/C23H27NO6.C2H2O4/c25-22(28-17-16-27-15-12-24-10-13-26-14-11-24)18-23(19-6-2-1-3-7-19)29-20-8-4-5-9-21(20)30-23;3-1(4)2(5)6/h1-9H,10-18H2;(H,3,4)(H,5,6)

InChIKey

CTAGRISHSLYWMZ-UHFFFAOYSA-N

Smiles

C1(c2ccccc2)(Oc2c(cccc2)O1)CC(OCCOCCN1CCOCC1)=O.C(C(=O)O)(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 230mg/kg (230mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 11, Pg. 539, 1976.