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Substance Name: 5-Benzofuranmethanol, 4,7-dimethoxy-6-(2-(dimethylamino)ethoxy)-alpha- (2-(4-methoxyphenyl)ethyl)-, oxalate (1:1) (salt)
RN: 40680-77-1
InChIKey: AKPNXQJKOXLURX-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-(4-methoxyphenyl)ethyl)-, oxalate (1:1) (salt)

Registry Numbers

CAS Registry Number

  • 40680-77-1

System Generated Number

  • 0040680771

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

InChIKey

AKPNXQJKOXLURX-UHFFFAOYSA-N

Smiles

c1(c(c(c2occc2c1OC)OC)OCC[NH+](C)C)[C@@H](O)CCc1ccc(OC)cc1.C(C(=O)[O-])(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 33500ug/kg (33.5mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 9, Pg. 85, 1974.
mouse LD50 oral 162mg/kg (162mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 9, Pg. 85, 1974.