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Substance Name: Pyridine, 3-(((2'-bromo(1,1'-biphenyl)-4-yl)methoxy)methyl)-, ethanedioate (1:1)
RN: 109524-02-9
InChIKey: VBFPASPEDOSBBB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H16-Br-N-O.C2-H2-O4

Molecular Weight

  • 444.2792
 
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Names and Synonyms

Synonyms

  • 3-(((2'-Bromo(1,1'-biphenyl)-4-yl)methoxy)methyl)pyridine ethanedioate (1:1)
  • 4-(3-Pyridylmethoxymethyl)-2'-bromobiphenyl oxalate

Systematic Name

  • Pyridine, 3-(((2'-bromo(1,1'-biphenyl)-4-yl)methoxy)methyl)-, ethanedioate (1:1)

Registry Numbers

CAS Registry Number

  • 109524-02-9

System Generated Number

  • 0109524029

Molecular Formulas

Molecular Formula

  • C19-H16-Br-N-O.C2-H2-O4

Molecular Formula Fragments

  • C19-H16-Br-N-O
  • C2-H2-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C19H16BrNO.C2H2O4/c20-19-6-2-1-5-18(19)17-9-7-15(8-10-17)13-22-14-16-4-3-11-21-12-16;3-1(4)2(5)6/h1-12H,13-14H2;(H,3,4)(H,5,6)

InChIKey

VBFPASPEDOSBBB-UHFFFAOYSA-N

Smiles

c1ccc(c(c1)c2ccc(cc2)COCc3cccnc3)Br.C(=O)(C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous > 100mg/kg (100mg/kg)   United States Patent Document. Vol. #4734417,
mouse LD50 oral 1gm/kg (1000mg/kg)   United States Patent Document. Vol. #4734417,