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Substance Name: DAN 2816
RN: 65236-27-3
InChIKey: OCYOKMYWMRSBLL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H31-N-O.1/2C2-H2-O4

Molecular Weight

  • 837.1076
 
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Names and Synonyms

Results Name

  • DAN 2816

Synonyms

  • alpha,alpha-Dimethyl-N-(2-((4-methylphenyl)phenylmethoxy)ethyl)phenethylamine oxalate (2:1)
  • DAN-2816

Systematic Name

  • Phenethylamine, alpha,alpha-dimethyl-N-(2-((4-methylphenyl)phenylmethoxy)ethyl)-, ethanedioate (2:1)

Registry Numbers

CAS Registry Number

  • 65236-27-3

System Generated Number

  • 0065236273

Molecular Formulas

Molecular Formula

  • C26-H31-N-O.1/2C2-H2-O4

Molecular Formula Fragments

  • C2-H2-O4
  • C26-H31-N-O
  • COMPONENT

Structure Descriptors

InChI

1S/2C26H31NO.C2H2O4/c2*1-21-14-16-24(17-15-21)25(23-12-8-5-9-13-23)28-19-18-27-26(2,3)20-22-10-6-4-7-11-22;3-1(4)2(5)6/h2*4-17,25,27H,18-20H2,1-3H3;(H,3,4)(H,5,6)

InChIKey

OCYOKMYWMRSBLL-UHFFFAOYSA-N

Smiles

Cc1ccc(cc1)C(c2ccccc2)OCCNC(C)(C)Cc3ccccc3.Cc1ccc(cc1)C(c2ccccc2)OCCNC(C)(C)Cc3ccccc3.C(=O)(C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 800mg/kg (800mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 12, Pg. 459, 1977.
mouse LD50 oral > 1200mg/kg (1200mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 12, Pg. 459, 1977.