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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
- All
- Classifications
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- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
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
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Other Resources (Internet Locators)
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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-NSmiles
OC(=O)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.