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Substance Name: Ethanol, 2-((3,4-dimethoxyphenethyl)amino)-1-(5-methyl-2-thienyl)-, oxalate (1:1)
RN: 59160-36-0
InChIKey: MRPUNHSJARMLBZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H23-N-O3-S.C2-H2-O4

Molecular Weight

  • 411.4725
 
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Names and Synonyms

Synonyms

  • 2-(((3,4-Dimethoxyphenyl)ethyl)amino)-1-(5-methyl-2-thienyl)ethanol oxalate
  • 2-Thiophenemethanol, alpha-(((2-(3,4-dimethoxyphenyl)ethyl)amino)methyl)-5-methyl-, oxalate

Systematic Name

  • Ethanol, 2-((3,4-dimethoxyphenethyl)amino)-1-(5-methyl-2-thienyl)-, oxalate (1:1)

Registry Numbers

CAS Registry Number

  • 59160-36-0

System Generated Number

  • 0059160360

Molecular Formulas

Molecular Formula

  • C17-H23-N-O3-S.C2-H2-O4

Molecular Formula Fragments

  • C17-H23-N-O3-S
  • C2-H2-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C17H23NO3S.C2H2O4/c1-12-4-7-17(22-12)14(19)11-18-9-8-13-5-6-15(20-2)16(10-13)21-3;3-1(4)2(5)6/h4-7,10,14,18-19H,8-9,11H2,1-3H3;(H,3,4)(H,5,6)

InChIKey

MRPUNHSJARMLBZ-UHFFFAOYSA-N

Smiles

Cc1ccc(s1)C(CNCCc2ccc(c(c2)OC)OC)O.C(=O)(C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 100mg/kg (100mg/kg)   Journal of Medicinal Chemistry. Vol. 19, Pg. 876, 1976.