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Substance Name: Niacin [USP]
RN: 59-67-6
UNII: 2679MF687A
InChIKey: PVNIIMVLHYAWGP-UHFFFAOYSA-N

Note

  • A water-soluble vitamin of the B complex occurring in various animal and plant tissues. It is required by the body for the formation of coenzymes NAD and NADP. It has PELLAGRA-curative, vasodilating, and antilipemic properties.

Molecular Formula

  • C6-H5-N-O2

Molecular Weight

  • 123.1105
 

Classification Codes

  • Antihyperlipidemic
  • Antimetabolites
  • Antiviral (COVID-19)
  • Cardiovascular Agents
  • Drug / Therapeutic Agent
  • Growth Substances
  • Human Data
  • Hypolipidemic Agents
  • Lipid Regulating Agents
  • Micronutrients
  • Tumor Data
  • Vasodilator Agents
  • Vitamin (Enzyme Co-Factor)
  • Vitamin B Complex
  • Vitamins

Names and Synonyms

Name of Substance

  • 3-Pyridinecarboxylic acid
  • Niacin
  • Niacin [USP]
  • Nicotinic acid
  • Nicotinic acid [INN]

MeSH Heading

  • Niacin

Synonyms

  • 3-Carboxylpyridine
  • 3-Carboxypyridine
  • 5-22-02-00057 (Beilstein Handbook Reference)
  • Acide nicotinique
  • Acide nicotinique [INN-French]
  • Acido nicotinico
  • Acido nicotinico [INN-Spanish]
  • Acidum nicotinicum
  • Acidum nicotinicum [INN-Latin]
  • AI3-18994
  • Akotin
  • Apelagrin
  • Bionic
  • BRN 0109591
  • Caswell No. 598
  • CCRIS 1902
  • Daskil
  • Davitamon PP
  • Diacin
  • Direktan
  • EC 200-441-0
  • Efacin
  • EINECS 200-441-0
  • Enduracin
  • EPA Pesticide Chemical Code 056701
  • HSDB 3134
  • Kyselina nikotinova
  • Kyselina nikotinova [Czech]
  • Linic
  • NAH
  • Naotin
  • Niac
  • Niacin
  • Niacor
  • Niaspan
  • Niaspan Titration Starter Pack
  • Nicacid
  • Nicagin
  • Nicamin
  • Nicangin
  • NICO
  • Nico-400
  • Nico-span
  • Nicobid
  • Nicocap
  • Nicocidin
  • Nicocrisina
  • Nicodan
  • Nicodelmine
  • Nicodon
  • Nicolar
  • Niconacid
  • Niconat
  • Niconazid
  • Nicorol
  • Nicosan 3
  • Nicoside
  • Nicosyl
  • Nicotamin
  • Nicotene
  • Nicotil
  • Nicotine acid
  • Nicotinic acid
  • Nicotinipca
  • Nicotinsaure
  • Nicotinsaure [German]
  • Nicovasan
  • Nicovasen
  • Nicyl
  • Nipellen
  • NSC 169454
  • Nyclin
  • Pellagramin
  • Pellagrin
  • Pelonin
  • Peviton
  • Pyridine-3-carboxylic acid
  • Pyridine-beta-carboxylic acid
  • Pyridine-carboxylique-3
  • Pyridine-carboxylique-3 [French]
  • S115
  • SK-Niacin
  • Slo-niacin
  • SR 4390
  • Tega-Span
  • Tinic
  • UNII-2679MF687A
  • Vitaplex N
  • Wampocap

Systematic Names

  • 3-Pyridinecarboxylic acid
  • Nicotinic acid

Superlist Names

  • 3-Pyridinecarboxylic acid
  • Niacin
  • Nicotinic acid
  • Pyridinecarboxylic acid, 3-

Registry Numbers

CAS Registry Number

  • 59-67-6

FDA UNII

  • 2679MF687A

Other Registry Numbers

  • 123574-58-3
  • 1580002-26-1

Related Registry Numbers

  • 10361-13-4 (iron(2+) salt)
  • 16518-17-5 (potassium salt)
  • 1976-28-9 (aluminum salt)
  • 28029-53-0 (cobalt(2+) salt)
  • 28029-54-1 (manganese(2+) salt)
  • 36321-41-2 (ammonium salt)
  • 3789-96-6 (tartrate)
  • 53890-72-5 (lithium salt)
  • 54-86-4 (hydrochloride salt)
  • 636-79-3 (hydrochloride)
  • 7069-06-9 (magnesium salt)
  • 823-77-8 (calcium salt)
  • 99148-57-9 (tosylate)

System Generated Number

  • 0000059676

Structure Descriptors

InChI

InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)

InChIKey

PVNIIMVLHYAWGP-UHFFFAOYSA-N

Smiles

OC(=O)c1cccnc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LDLo intravenous 3500mg/kg (3500mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Proceedings of the Society for Experimental Biology and Medicine. Vol. 38, Pg. 241, 1938.
man TDLo intravenous 357ug/kg (0.357mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

LUNGS, THORAX, OR RESPIRATION: CYANOSIS

CARDIAC: CARDIAC OUTPUT		 Annals of Internal Medicine. Vol. 29, Pg. 558, 1948.
man TDLo oral 2571mg/kg/90D (2571mg/kg) BLOOD: CHANGES IN PLATELET COUNT

BLOOD: CHANGE IN CLOTTING FACTORS		 Archives of Internal Medicine. Vol. 152, Pg. 861, 1992.
man TDLo oral 9713mg/kg/58W (9713mg/kg) SKIN AND APPENDAGES (SKIN): SWEATING: OTHER

GASTROINTESTINAL: NAUSEA OR VOMITING		 Southern Medical Journal. Vol. 84, Pg. 496, 1991.
man TDLo oral 31200mg/kg/78 (31200mg/kg) SENSE ORGANS AND SPECIAL SENSES: VISUAL FIELD CHANGES: EYE

SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE		 JAMA, Journal of the American Medical Association. Vol. 279, Pg. 1702, 1998.
mouse LD50 intraperitoneal 358mg/kg (358mg/kg)   Oyo Yakuri. Pharmacometrics. Vol. 14, Pg. 741, 1977.
mouse LD50 intravenous 5gm/kg (5000mg/kg)   Therapie. Vol. 26, Pg. 831, 1971.
mouse LD50 oral 3720mg/kg (3720mg/kg) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES		 Oyo Yakuri. Pharmacometrics. Vol. 7, Pg. 149, 1973.
mouse LD50 subcutaneous 3500mg/kg (3500mg/kg)   Oyo Yakuri. Pharmacometrics. Vol. 14, Pg. 741, 1977.
mouse LD50 unreported 4gm/kg (4000mg/kg)   British UK Patent Application. Vol. #2041937,
rabbit LD50 oral 4550mg/kg (4550mg/kg)   Oyo Yakuri. Pharmacometrics. Vol. 14, Pg. 741, 1977.
rat LD50 intraperitoneal 730mg/kg (730mg/kg)   Oyo Yakuri. Pharmacometrics. Vol. 14, Pg. 741, 1977.
rat LD50 oral 7gm/kg (7000mg/kg)   Drugs in Japan Vol. 6, Pg. 544, 1982.
rat LD50 subcutaneous 5gm/kg (5000mg/kg)   Drugs in Japan Vol. 6, Pg. 544, 1982.
rat LD50 unreported 4gm/kg (4000mg/kg)   United States Patent Document. Vol. #4412998,
rat LDLo intravenous 3500mg/kg (3500mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Proceedings of the Society for Experimental Biology and Medicine. Vol. 38, Pg. 241, 1938.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 236.6 deg C   EXP
pKa Dissociation Constant 4.75 (none) 25 EXP
log P (octanol-water) 0.36 (none)   EXP
Water Solubility 1.80E+04 mg/L 25 EXP
Vapor Pressure 5.70E-06 mm Hg 25 EST
Henry's Law Constant 5.11E-11 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.72E-13 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.