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Substance Name: Acetamide, 2-((5'-acetyl-3'-cyano-1',4',5',6'-tetrahydro-6'-hydroxy-6'-methyl-(3,4'-bipyridin)-2'-yl)thio)-
RN: 117491-09-5
InChIKey: LOHPJONPZHJLQD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H18-N4-O3-S

Molecular Weight

  • 346.4092
 
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Names and Synonyms

Synonym

  • BRN 5613531

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 117491-09-5

System Generated Number

  • 0117491095

Structure Descriptors

InChI

1S/C16H18N4O3S/c1-9(21)14-13(10-4-3-5-19-7-10)11(6-17)15(20-16(14,2)23)24-8-12(18)22/h3-5,7,13-14,20,23H,8H2,1-2H3,(H2,18,22)

InChIKey

LOHPJONPZHJLQD-UHFFFAOYSA-N

Smiles

CC(=O)C1C(C(=C(NC1(C)O)SCC(=O)N)C#N)c2cccnc2

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.