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Substance Name: Nicotinamide, N-butyl-6-methyl-2-(p-toluidino)-
RN: 78593-79-0
InChIKey: WHJXWNIWGZPYIC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H23-N3-O

Molecular Weight

  • 297.3997
 
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Names and Synonyms

Synonyms

  • 3-Pyridinecarboxamide, N-butyl-6-methyl-2-((4-methylphenyl)amino)-
  • BRN 5090966
  • N-Butyl-6-methyl-2-(p-toluidino)nicotinamide

Systematic Name

  • Nicotinamide, N-butyl-6-methyl-2-(p-toluidino)-

Registry Numbers

CAS Registry Number

  • 78593-79-0

System Generated Number

  • 0078593790

Structure Descriptors

InChI

1S/C18H23N3O/c1-4-5-12-19-18(22)16-11-8-14(3)20-17(16)21-15-9-6-13(2)7-10-15/h6-11H,4-5,12H2,1-3H3,(H,19,22)(H,20,21)

InChIKey

WHJXWNIWGZPYIC-UHFFFAOYSA-N

Smiles

CCCCNC(=O)c1ccc(nc1Nc2ccc(cc2)C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 365mg/kg (365mg/kg) AUTONOMIC NERVOUS SYSTEM: "SMOOTH MUSCLE RELAXANT (MECHANISM UNDEFINED, SPASMOLYTIC)"

BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS
Pharmaceutical Chemistry Journal Vol. 15, Pg. 249, 1981.