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Substance Name: 1,3-Benzodioxole-2-acetic acid, 2-phenyl-, 2-morpholinoethyl ester, maleate
RN: 50836-05-0
InChIKey: JFMXOFPOIFRIJN-BTJKTKAUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H23-N-O5.C4-H4-O4

Molecular Weight

  • 485.486
 
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Names and Synonyms

Synonyms

  • 2-Morpholinoethyl 2-phenyl-1,3-benzodioxole-2-acetate maleate
  • 2-Phenyl-1,3-benzodioxole-2-acetic acid 2-morpholinoethyl ester

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 50836-05-0

System Generated Number

  • 0050836050

Molecular Formulas

Molecular Formula

  • C21-H23-N-O5.C4-H4-O4

Molecular Formula Fragments

  • C21-H23-N-O5
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C21H23NO5.C4H4O4/c23-20(25-15-12-22-10-13-24-14-11-22)16-21(17-6-2-1-3-7-17)26-18-8-4-5-9-19(18)27-21;5-3(6)1-2-4(7)8/h1-9H,10-16H2;1-2H,(H,5,6)(H,7,8)/b;2-1-

InChIKey

JFMXOFPOIFRIJN-BTJKTKAUSA-N

Smiles

C1(c2ccccc2)(Oc2c(O1)cccc2)CC(OCCN1CCOCC1)=O.C(=C/C(=O)O)\C(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 490mg/kg (490mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 11, Pg. 539, 1976.