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Substance Name: Pyrocatechol, 4-(2-(N,N-diphenethylamino)ethyl)-, oxalate (2:1)
RN: 70045-18-0
InChIKey: BBAWAKWAACUTCE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C48-H54-N2-O4.C2-H4-O4

Molecular Weight

  • 812.9984
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 70045-18-0

System Generated Number

  • 0070045180

Molecular Formulas

Molecular Formula

  • C48-H54-N2-O4.C2-H4-O4

Molecular Formula Fragments

  • C2-H4-O4
  • C48-H54-N2-O4
  • COMPONENT

Structure Descriptors

InChI

1S/2C24H27NO2.C2H2O4/c2*26-23-12-11-22(19-24(23)27)15-18-25(16-13-20-7-3-1-4-8-20)17-14-21-9-5-2-6-10-21;3-1(4)2(5)6/h2*1-12,19,26-27H,13-18H2;(H,3,4)(H,5,6)

InChIKey

BBAWAKWAACUTCE-UHFFFAOYSA-N

Smiles

c1ccc(cc1)CCN(CCc2ccccc2)CCc3ccc(c(c3)O)O.c1ccc(cc1)CCN(CCc2ccccc2)CCc3ccc(c(c3)O)O.C(=O)(C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 200mg/kg (200mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 13, Pg. 553, 1978.