• Molecular NameNiacin
  • Synonym3-Pyridinecarboxylic acid; Acide Nicotinique; Acidum Nicotinicum; M-Pyridinecarboxylic Acid; NAH; niacin; Nicotine Acid; Nicotinic Acid; Pyridinecarboxylic Acid; Pyridylcarboxylic Acid; Vitamin B3
  • Weight123.111
  • Drugbank_IDDB00627
  • ACS_NO59-67-6
  • Show 3D model
  • LogP (experiment)0.36
  • LogP (predicted, AB/LogP v2.0)0.44
  • pka4.75
  • LogD (pH=7, predicted)-2.73
  • Solubility (experiment)18 mg/ml
  • LogS (predicted, ACD/Labs)(ph=7)0.91
  • LogSw (predicted, AB/LogsW2.0)6.51
  • Sw (mg/ml) (predicted, ACD/Labs)18.56
  • No.of HBond Donors1
  • No.of HBond Acceptors3
  • No.of Rotatable Bonds1
  • TPSA50.19
  • StatusFDA approved
  • AdministrationN/A
  • PharmacologyNiacin and niacinamide are indicated for prevention and treatment of vitamin B3 deficiency states.
  • Absorption_value94.0
  • Absorption (description)Niacin is well-absorbed but undergoes first-pass metabolism. Absorption is improved when taken with a low-fat meal.
  • Caco_2N/A
  • BioavailabilityN/A
  • Protein bindingN/A
  • Volume of distribution (VD)N/A
  • Blood/Plasma Partitioning ratio (D_blood)N/A
  • MetabollsmNiacin (nicotinic acid) is metabolized to nicotinamide, which in turn is converted to the coenzyme NAD and other inactive metabolites. It also undergoes direct glycine conjugation to nicotinuric acid.
  • Half life0.15~0.25 h
  • ExcretionN/A
  • Urinary Excretion12
  • Clerance14.6 ml/min/kg
  • ToxicityNicotinic acid can cause vasodilation of cutaneous blood vessels resulting in increased blood flow, principally in the face, neck and chest. This produces the niacin- or nicotinic acid-flush. The niacin-flush is thought to be mediated via the prostaglandin prostacyclin.
  • LD50 (rat)LD50=7000 mg/kg
  • LD50 (mouse)N/A