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Substance Name: 5-Norbornene-2,3-dicarboximide, N-allyl-5-(alpha-hydroxy-alpha-2-pyridylbenzyl)-7-(alpha-2-pyridylbenzylidene)-, endo- and acetone (2:1)
RN: 5784-52-1
InChIKey: BWMFDDXRDPPUFN-UHFFFAOYSA-N

Molecular Formula

  • C72-H58-N6-O6.C3-H6-O

Molecular Weight

  • 1161.37
 
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Names and Synonyms

  • 5-Norbornene-2,3-dicarboximide, N-allyl-5-(alpha-hydroxy-alpha-2-pyridylbenzyl)-7-(alpha-2-pyridylbenzylidene)-, endo- and acetone (2:1)

Registry Numbers

CAS Registry Number

  • 5784-52-1

System Generated Number

  • 0005784521

Molecular Formulas

Molecular Formula

  • C72-H58-N6-O6.C3-H6-O

Molecular Formula Fragments

  • C3-H6-O
  • C72-H58-N6-O6
  • COMPONENT

Structure Descriptors

InChI

1S/2C36H29N3O3.C3H6O/c2*1-2-21-39-33(40)30-26-22-35(32(30)34(39)41,31(24-13-5-3-6-14-24)28-17-9-11-19-37-28)23-27(26)36(42,25-15-7-4-8-16-25)29-18-10-12-20-38-29;1-3(2)4/h2*2-20,23,26,31,42H,1,21-22H2;1-2H3

InChIKey

BWMFDDXRDPPUFN-UHFFFAOYSA-N

Smiles

CC(C)=O.C1(N(C(C=2[C@@H]3C([C@@](c4ccccn4)(c4ccccc4)O)=C[C@@]([C@@H](c4ccccc4)c4ccccn4)(C12)C3)=O)CC=C)=O.C1(N(C(C=2[C@@H]3C([C@@](c4ncccc4)(c4ccccc4)O)=C[C@@](C12)(C3)[C@@H](c1ccccn1)c1ccccc1)=O)CC=C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LDLo oral 10mg/kg (10mg/kg)   Journal of Medicinal Chemistry. Vol. 9, Pg. 537, 1966.