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Substance Name: 5-Benzofuranmethanol, alpha-(2-(4-butoxyphenyl)ethyl)-4,7-dimethoxy-6-(2-(dimethylamino)ethoxy)-, oxalate (1:1) (salt)
RN: 40680-91-9
InChIKey: LVAJWCASDZLPNJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H37-N-O6.C2-H2-O4

Molecular Weight

  • 561.624
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 40680-91-9

System Generated Number

  • 0040680919

Molecular Formulas

Molecular Formula

  • C27-H37-N-O6.C2-H2-O4

Molecular Formula Fragments

  • C2-H2-O4
  • C27-H37-N-O6
  • COMPONENT

Structure Descriptors

InChI

1S/C27H37NO6.C2H2O4/c1-6-7-16-32-20-11-8-19(9-12-20)10-13-22(29)23-24(30-4)21-14-17-33-25(21)27(31-5)26(23)34-18-15-28(2)3;3-1(4)2(5)6/h8-9,11-12,14,17,22,29H,6-7,10,13,15-16,18H2,1-5H3;(H,3,4)(H,5,6)

InChIKey

LVAJWCASDZLPNJ-UHFFFAOYSA-N

Smiles

c1(c(c(c2ccoc2c1OC)OC)[C@@H](CCc1ccc(OCCCC)cc1)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 37mg/kg (37mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 9, Pg. 85, 1974.
mouse LD50 oral 550mg/kg (550mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 9, Pg. 85, 1974.