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Substance Name: 3-Pyridinecarbonitrile, 2,6-dimethyl-4-(hexahydro-1H-azepin-1-yl)-, 1-oxide
RN: 106101-35-3
InChIKey: GZMIDKKFNLGZJS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H19-N3-O

Molecular Weight

  • 245.3241
 
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Names and Synonyms

Synonym

  • 2,6-Dimethyl-4-(hexahydro-1H-azepin-1-yl)-3-pyridinecarbonitrile 1-oxide

Systematic Name

  • 3-Pyridinecarbonitrile, 2,6-dimethyl-4-(hexahydro-1H-azepin-1-yl)-, 1-oxide

Registry Numbers

CAS Registry Number

  • 106101-35-3

System Generated Number

  • 0106101353

Structure Descriptors

InChI

1S/C14H19N3O/c1-11-9-14(13(10-15)12(2)17(11)18)16-7-5-3-4-6-8-16/h9H,3-8H2,1-2H3

InChIKey

GZMIDKKFNLGZJS-UHFFFAOYSA-N

Smiles

Cc1cc(c(c([n+]1[O-])C)C#N)N2CCCCCC2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 50mg/kg (50mg/kg)   United States Patent Document. Vol. #4859663,