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Substance Name: 5-Benzofuranmethanol, 4,7-dimethoxy-6-(2-(4-morpholinyl)ethoxy)-alpha-(2-phenylethyl)-, oxalate (1:1) (salt)
RN: 40680-76-0
InChIKey: QPBABLLRUHPDBL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H31-N-O6.C2-H2-O4

Molecular Weight

  • 531.555
 
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Names and Synonyms

  • 5-Benzofuranmethanol, 4,7-dimethoxy-6-(2-(4-morpholinyl)ethoxy)-alpha-(2-phenylethyl)-, oxalate (1:1) (salt)

Registry Numbers

CAS Registry Number

  • 40680-76-0

System Generated Number

  • 0040680760

Molecular Formulas

Molecular Formula

  • C25-H31-N-O6.C2-H2-O4

Molecular Formula Fragments

  • C2-H2-O4
  • C25-H31-N-O6
  • COMPONENT

Structure Descriptors

InChI

1S/C25H31NO6.C2H2O4/c1-28-22-19-10-14-31-23(19)25(29-2)24(32-17-13-26-11-15-30-16-12-26)21(22)20(27)9-8-18-6-4-3-5-7-18;3-1(4)2(5)6/h3-7,10,14,20,27H,8-9,11-13,15-17H2,1-2H3;(H,3,4)(H,5,6)

InChIKey

QPBABLLRUHPDBL-UHFFFAOYSA-N

Smiles

c1(c(c(c2ccoc2c1OC)OC)[C@@H](CCc1ccccc1)O)OCC[NH+]1CCOCC1.C(C(=O)[O-])(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 57mg/kg (57mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 9, Pg. 85, 1974.
mouse LD50 oral 275mg/kg (275mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 9, Pg. 85, 1974.