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Substance Name: Benzoxazole, 2-((2-(4-((4-chlorophenyl)-2-pyridinylmethoxy)-1-piperidinyl)ethyl)thio)-, (E)-2-butenedioate (1:1)
RN: 125602-49-5
InChIKey: DABWSAZUPNMOTQ-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H26-Cl-N3-O2-S.C4-H4-O4

Molecular Weight

  • 596.101
 
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Names and Synonyms

Synonym

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

Systematic Name

  • Benzoxazole, 2-((2-(4-((4-chlorophenyl)-2-pyridinylmethoxy)-1-piperidinyl)ethyl)thio)-, (E)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 125602-49-5

System Generated Number

  • 0125602495

Molecular Formulas

Molecular Formula

  • C26-H26-Cl-N3-O2-S.C4-H4-O4

Molecular Formula Fragments

  • C26-H26-Cl-N3-O2-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C26H26ClN3O2S.C4H4O4/c27-20-10-8-19(9-11-20)25(23-6-3-4-14-28-23)31-21-12-15-30(16-13-21)17-18-33-26-29-22-5-1-2-7-24(22)32-26;5-3(6)1-2-4(7)8/h1-11,14,21,25H,12-13,15-18H2;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

DABWSAZUPNMOTQ-WLHGVMLRSA-N

Smiles

c1ccc2c(c1)nc(o2)SCCN3CCC(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 1700mg/kg (1700mg/kg)   United States Patent Document. Vol. #4929618,