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Substance Name: DAN 2806
RN: 62098-99-1
InChIKey: IMHKLWGVBASCLS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H29-N-O2.1/2C2-H2-O4

Molecular Weight

  • 841.052
 
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Names and Synonyms

Results Name

  • DAN 2806

Synonyms

  • DAN-2806
  • N-(2-(Diphenylmethoxy)ethyl)-1-(3-methylphenoxy)-2-propylamine hemioxalate

Systematic Name

  • 2-Propylamine, N-(2-(diphenylmethoxy)ethyl)-1-(3-methylphenoxy)-, ethanedioate (2:1)

Registry Numbers

CAS Registry Number

  • 62098-99-1

System Generated Number

  • 0062098991

Molecular Formulas

Molecular Formula

  • C25-H29-N-O2.1/2C2-H2-O4

Molecular Formula Fragments

  • C2-H2-O4
  • C25-H29-N-O2
  • COMPONENT

Structure Descriptors

InChI

1S/2C25H29NO2.C2H2O4/c2*1-20-10-9-15-24(18-20)28-19-21(2)26-16-17-27-25(22-11-5-3-6-12-22)23-13-7-4-8-14-23;3-1(4)2(5)6/h2*3-15,18,21,25-26H,16-17,19H2,1-2H3;(H,3,4)(H,5,6)

InChIKey

IMHKLWGVBASCLS-UHFFFAOYSA-N

Smiles

Cc1cccc(c1)OCC(C)NCCOC(c2ccccc2)c3ccccc3.Cc1cccc(c1)OCC(C)NCCOC(c2ccccc2)c3ccccc3.C(=O)(C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 100mg/kg (100mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 12, Pg. 459, 1977.
mouse LD50 oral 950mg/kg (950mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 12, Pg. 459, 1977.