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Substance Name: Acetamide, 2-((5'-acetyl-3'-cyano-1',4'-dihydro-6'-methyl(3,4'-bipyridin)-2'-yl)thio)-, monohydrochloride
RN: 117491-13-1
InChIKey: YVAVMFKZVQWEGH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H16-N4-O2-S.Cl-H

Molecular Weight

  • 364.8553
 
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Names and Synonyms

  • Acetamide, 2-((5'-acetyl-3'-cyano-1',4'-dihydro-6'-methyl(3,4'-bipyridin)-2'-yl)thio)-, monohydrochloride

Registry Numbers

CAS Registry Number

  • 117491-13-1

System Generated Number

  • 0117491131

Molecular Formulas

Molecular Formula

  • C16-H16-N4-O2-S.Cl-H

Molecular Formula Fragments

  • C16-H16-N4-O2-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C16H16N4O2S.ClH/c1-9-14(10(2)21)15(11-4-3-5-19-7-11)12(6-17)16(20-9)23-8-13(18)22;/h3-5,7,15,20H,8H2,1-2H3,(H2,18,22);1H

InChIKey

YVAVMFKZVQWEGH-UHFFFAOYSA-N

Smiles

CC1=C(C(C(=C(N1)SCC(=O)N)C#N)c2cccnc2)C(=O)C.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 1gm/kg (1000mg/kg)   Russian Pharmacology and Toxicology Vol. 51, Pg. 191, 1988.