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Substance Name: Pyrocatechol, 4-(2-(N-benzylphenethylamino)ethyl)-, oxalate (1:1)
RN: 70045-15-7
InChIKey: KRYJEGUHUKHIAR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H25-N-O2.C2-H2-O4

Molecular Weight

  • 437.4893
 
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Names and Synonyms

Synonym

  • 4-(2-(N-Benzylphenethylamino)ethyl)pyrocatechol oxalate (1:1)

Systematic Name

  • Pyrocatechol, 4-(2-(N-benzylphenethylamino)ethyl)-, oxalate (1:1)

Registry Numbers

CAS Registry Number

  • 70045-15-7

System Generated Number

  • 0070045157

Molecular Formulas

Molecular Formula

  • C23-H25-N-O2.C2-H2-O4

Molecular Formula Fragments

  • C2-H2-O4
  • C23-H25-N-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C23H25NO2.C2H2O4/c25-22-12-11-20(17-23(22)26)14-16-24(18-21-9-5-2-6-10-21)15-13-19-7-3-1-4-8-19;3-1(4)2(5)6/h1-12,17,25-26H,13-16,18H2;(H,3,4)(H,5,6)

InChIKey

KRYJEGUHUKHIAR-UHFFFAOYSA-N

Smiles

c1ccc(cc1)CCN(CCc2ccc(c(c2)O)O)Cc3ccccc3.C(=O)(C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 400mg/kg (400mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 13, Pg. 553, 1978.