Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 3-Pyridinecarboxylic acid, 1,4,5,6-tetrahydro-5-cyano-2-methyl-4-(4-nitrophenyl)-6-thioxo-, ethyl ester
RN: 97651-06-4
InChIKey: CWAQSLGYZKJCNS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H15-N3-O4-S

Molecular Weight

  • 345.3775
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonym

  • Nicotinic acid, 1,4,5,6-tetrahydro-5-cyano-2-methyl-4-(p-nitrophenyl)-6-thioxo-, ethyl ester

Systematic Name

  • 3-Pyridinecarboxylic acid, 1,4,5,6-tetrahydro-5-cyano-2-methyl-4-(4-nitrophenyl)-6-thioxo-, ethyl ester

Registry Numbers

CAS Registry Number

  • 97651-06-4

System Generated Number

  • 0097651064

Structure Descriptors

InChI

1S/C16H15N3O4S/c1-3-23-16(20)13-9(2)18-15(24)12(8-17)14(13)10-4-6-11(7-5-10)19(21)22/h4-7,12,14H,3H2,1-2H3,(H,18,24)

InChIKey

CWAQSLGYZKJCNS-UHFFFAOYSA-N

Smiles

C1(=C(NC(=S)C(C1c1ccc([N+](=O)[O-])cc1)C#N)C)C(=O)OCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 400mg/kg (400mg/kg)   Pharmaceutical Chemistry Journal Vol. 19, Pg. 313, 1985.