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Substance Name: 1,3-Benzodioxole-2-acetic acid, 2-phenyl-, 2-diethylaminoethyl ester, maleate
RN: 50836-14-1
InChIKey: UMPKMWLEAZCIJS-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H25-N-O4.C4-H4-O4

Molecular Weight

  • 471.503
 
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Names and Synonyms

Synonym

  • 2-Diethylaminoethyl 2-phenyl-1,3-benzodioxole-2-acetate maleate

Systematic Name

  • 1,3-Benzodioxole-2-acetic acid, 2-phenyl-, 2-diethylaminoethyl ester, maleate

Registry Numbers

CAS Registry Number

  • 50836-14-1

System Generated Number

  • 0050836141

Molecular Formulas

Molecular Formula

  • C21-H25-N-O4.C4-H4-O4

Molecular Formula Fragments

  • C21-H25-N-O4
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C21H25NO4.C4H4O4/c1-3-22(4-2)14-15-24-20(23)16-21(17-10-6-5-7-11-17)25-18-12-8-9-13-19(18)26-21;5-3(6)1-2-4(7)8/h5-13H,3-4,14-16H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

UMPKMWLEAZCIJS-WLHGVMLRSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 730mg/kg (730mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 11, Pg. 539, 1976.
rat LD50 intravenous 10mg/kg (10mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 11, Pg. 539, 1976.