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Substance Name: 2-Benzoxazolamine, N-(2-(4-((4-chlorophenyl)-2-pyridinylmethoxy)-1-piperidinyl)ethyl)-, (E)-2-butenedioate (1:1)
RN: 125602-57-5
InChIKey: RAOYCMKMVWCYCD-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H27-Cl-N4-O2.C4-H4-O4

Molecular Weight

  • 579.0499
 
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Names and Synonyms

Synonym

  • 2-(2-(4-((4-Chlorophenyl)-2-pyridylmethoxy)-1-piperidyl)ethylamino)benzoxazole fumarate

Systematic Name

  • 2-Benzoxazolamine, N-(2-(4-((4-chlorophenyl)-2-pyridinylmethoxy)-1-piperidinyl)ethyl)-, (E)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 125602-57-5

System Generated Number

  • 0125602575

Molecular Formulas

Molecular Formula

  • C26-H27-Cl-N4-O2.C4-H4-O4

Molecular Formula Fragments

  • C26-H27-Cl-N4-O2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C26H27ClN4O2.C4H4O4/c27-20-10-8-19(9-11-20)25(23-6-3-4-14-28-23)32-21-12-16-31(17-13-21)18-15-29-26-30-22-5-1-2-7-24(22)33-26;5-3(6)1-2-4(7)8/h1-11,14,21,25H,12-13,15-18H2,(H,29,30);1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

RAOYCMKMVWCYCD-WLHGVMLRSA-N

Smiles

c1ccc2c(c1)nc(o2)NCCN3CCC(CC3)OC(c4ccc(cc4)Cl)c5ccccn5.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 740mg/kg (740mg/kg)   United States Patent Document. Vol. #4929618,