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Substance Name: Nicotinamide, 2-anilino-N-butyl-6-methyl-
RN: 78593-78-9
InChIKey: ACUQQUAAEJVGOD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H21-N3-O

Molecular Weight

  • 283.3729
 
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Names and Synonyms

Synonyms

  • 2-Anilino-N-butyl-6-methylnicotinamide
  • 3-Pyridinecarboxamide, N-butyl-6-methyl-2-(phenylamino)-
  • BRN 5085401

Systematic Name

  • Nicotinamide, 2-anilino-N-butyl-6-methyl-

Registry Numbers

CAS Registry Number

  • 78593-78-9

System Generated Number

  • 0078593789

Structure Descriptors

InChI

1S/C17H21N3O/c1-3-4-12-18-17(21)15-11-10-13(2)19-16(15)20-14-8-6-5-7-9-14/h5-11H,3-4,12H2,1-2H3,(H,18,21)(H,19,20)

InChIKey

ACUQQUAAEJVGOD-UHFFFAOYSA-N

Smiles

CCCCNC(=O)c1ccc(nc1Nc2ccccc2)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 295mg/kg (295mg/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.