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Substance Name: 2-Propylamine, N-(2-(diphenylmethoxy)ethyl)-1-(2-(2-propenyl)phenoxy)-, ethanedioate (2:1)
RN: 62099-07-4
InChIKey: ZIRMBJKSUOPWIU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H31-N-O2.1/2C2-H2-O4

Molecular Weight

  • 893.1276
 
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Names and Synonyms

Synonyms

  • DAN-2814
  • N-(2-(Diphenylmethoxy)ethyl)-1-(2-(2-propenyl)phenoxy)-2-propylamine hemioxalate

Systematic Name

  • 2-Propylamine, N-(2-(diphenylmethoxy)ethyl)-1-(2-(2-propenyl)phenoxy)-, ethanedioate (2:1)

Registry Numbers

CAS Registry Number

  • 62099-07-4

System Generated Number

  • 0062099074

Molecular Formulas

Molecular Formula

  • C27-H31-N-O2.1/2C2-H2-O4

Molecular Formula Fragments

  • C2-H2-O4
  • C27-H31-N-O2
  • COMPONENT

Structure Descriptors

InChI

1S/2C27H31NO2.C2H2O4/c2*1-3-12-23-13-10-11-18-26(23)30-21-22(2)28-19-20-29-27(24-14-6-4-7-15-24)25-16-8-5-9-17-25;3-1(4)2(5)6/h2*3-11,13-18,22,27-28H,1,12,19-21H2,2H3;(H,3,4)(H,5,6)

InChIKey

ZIRMBJKSUOPWIU-UHFFFAOYSA-N

Smiles

CC(COc1ccccc1CC=C)NCCOC(c2ccccc2)c3ccccc3.CC(COc1ccccc1CC=C)NCCOC(c2ccccc2)c3ccccc3.C(=O)(C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 415mg/kg (415mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 12, Pg. 459, 1977.
mouse LD50 oral > 1600mg/kg (1600mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 12, Pg. 459, 1977.