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Substance Name: 5-Norbornene-2,3-dicarboximide, N-(dimethylcarbamoylmethyl)-5-(alpha-hydroxy-alpha-2-pyridylbenzyl)-7-(alpha-2-pyridylbenzylidene)-, hydrate, endo- (1:1)
RN: 6434-38-4
InChIKey: KBNCEOBCRNFEAY-NVQSTNCTSA-N

Molecular Formula

  • C37-H32-N4-O4.H2-O

Molecular Weight

  • 596.6838
 
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Names and Synonyms

  • 5-Norbornene-2,3-dicarboximide, N-(dimethylcarbamoylmethyl)-5-(alpha-hydroxy-alpha-2-pyridylbenzyl)-7-(alpha-2-pyridylbenzylidene)-, hydrate, endo- (1:1)

Registry Numbers

CAS Registry Number

  • 6434-38-4

System Generated Number

  • 0006434384

Molecular Formulas

Molecular Formula

  • C37-H32-N4-O4.H2-O

Molecular Formula Fragments

  • C37-H32-N4-O4
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C37H32N4O4/c1-40(2)29(42)22-41-35(43)32-25-21-26(37(45,24-15-7-4-8-16-24)28-18-10-12-20-39-28)33(34(32)36(41)44)31(25)30(23-13-5-3-6-14-23)27-17-9-11-19-38-27/h3-21,25,32-34,45H,22H2,1-2H3/b31-30+

InChIKey

KBNCEOBCRNFEAY-NVQSTNCTSA-N

Smiles

CN(C)C(=O)CN1C(=O)C2C\3C=C(C(C2C1=O)/C3=C(\c4ccccc4)/c5ccccn5)C(c6ccccc6)(c7ccccn7)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 5900ug/kg (5.9mg/kg)   Journal of Medicinal Chemistry. Vol. 9, Pg. 537, 1966.