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Substance Name: 5-Benzofuranmethanol, 4,7-dimethoxy-6-(2-(dimethylamino)ethoxy)-alpha- (2-(2-methoxyphenyl)ethyl)-, oxalate (1:1) (salt)
RN: 40680-92-0
InChIKey: UBFVHCHLZXRVAT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H31-N-O6.C2-H2-O4

Molecular Weight

  • 519.544
 
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Names and Synonyms

  • 5-Benzofuranmethanol, 4,7-dimethoxy-6-(2-(dimethylamino)ethoxy)-alpha- (2-(2-methoxyphenyl)ethyl)-, oxalate (1:1) (salt)

Registry Numbers

CAS Registry Number

  • 40680-92-0

System Generated Number

  • 0040680920

Molecular Formulas

Molecular Formula

  • C24-H31-N-O6.C2-H2-O4

Molecular Formula Fragments

  • C2-H2-O4
  • C24-H31-N-O6
  • COMPONENT

Structure Descriptors

InChI

1S/C24H31NO6.C2H2O4/c1-25(2)13-15-31-23-20(18(26)11-10-16-8-6-7-9-19(16)27-3)21(28-4)17-12-14-30-22(17)24(23)29-5;3-1(4)2(5)6/h6-9,12,14,18,26H,10-11,13,15H2,1-5H3;(H,3,4)(H,5,6)

InChIKey

UBFVHCHLZXRVAT-UHFFFAOYSA-N

Smiles

c1(c(c(c2ccoc2c1OC)OC)[C@@H](CCc1c(cccc1)OC)O)OCC[NH+](C)C.C(C(=O)[O-])(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 12mg/kg (12mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 9, Pg. 85, 1974.
mouse LD50 oral 75mg/kg (75mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 9, Pg. 85, 1974.