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Substance Name: 5-Benzofuranmethanol, 4,7-dimethoxy-6-(2-(dimethylamino)ethoxy)-alpha-(2-(4-fluorophenyl)ethyl)-, oxalate (1:1) (salt)
RN: 40680-84-0
InChIKey: ULXDDZJNNKGSFB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H28-F-N-O5.C2-H2-O4

Molecular Weight

  • 507.508
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 40680-84-0

System Generated Number

  • 0040680840

Molecular Formulas

Molecular Formula

  • C23-H28-F-N-O5.C2-H2-O4

Molecular Formula Fragments

  • C2-H2-O4
  • C23-H28-F-N-O5
  • COMPONENT

Structure Descriptors

InChI

1S/C23H28FNO5.C2H2O4/c1-25(2)12-14-30-22-19(18(26)10-7-15-5-8-16(24)9-6-15)20(27-3)17-11-13-29-21(17)23(22)28-4;3-1(4)2(5)6/h5-6,8-9,11,13,18,26H,7,10,12,14H2,1-4H3;(H,3,4)(H,5,6)

InChIKey

ULXDDZJNNKGSFB-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 21mg/kg (21mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 9, Pg. 85, 1974.
mouse LD50 oral 155mg/kg (155mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 9, Pg. 85, 1974.