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Substance Name: 3-Pyridinecarbonitrile, 2,6-dimethyl-4-(4-thiomorpholinyl)-, 1-oxide, monohydrochloride
RN: 106101-15-9
InChIKey: TZEMGKRZGDHCQL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H15-N3-O3-S.Cl-H

Molecular Weight

  • 285.7974
 
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Names and Synonyms

Synonyms

  • 2,6-Dimethyl-4-(4-thiomorpholinyl)-3-pyridinecarbonitrile 1-oxide monohydrochloride
  • 3-Cyano-2,6-dimethyl-4-(4-thiomorpholinyl)pyridine 1-oxide hydrochloride

Systematic Name

  • 3-Pyridinecarbonitrile, 2,6-dimethyl-4-(4-thiomorpholinyl)-, 1-oxide, monohydrochloride

Registry Numbers

CAS Registry Number

  • 106101-15-9

System Generated Number

  • 0106101159

Molecular Formulas

Molecular Formula

  • C12-H15-N3-O3-S.Cl-H

Molecular Formula Fragments

  • C12-H15-N3-O3-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C12H15N3OS.ClH/c1-9-7-12(14-3-5-17-6-4-14)11(8-13)10(2)15(9)16;/h7H,3-6H2,1-2H3;1H

InChIKey

TZEMGKRZGDHCQL-UHFFFAOYSA-N

Smiles

Cc1cc(c(c(n1=O)C)C#N)N2CCSCC2.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 135mg/kg (135mg/kg)   United States Patent Document. Vol. #4859663,
mouse LD50 oral 1190mg/kg (1190mg/kg)   United States Patent Document. Vol. #4859663,