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Substance Name: Niceritrol [INN:BAN:DCF:JAN]
RN: 5868-05-3
UNII: F54EHJ34MV
InChIKey: KUEUWHJGRZKESU-UHFFFAOYSA-N

Note

  • An ester of nicotinic acid that lowers cholesterol and triglycerides in total plasma and in the VLD- and LD-lipoprotein fractions.

Molecular Formula

  • C29-H24-N4-O8

Molecular Weight

  • 556.5286
 

Classification Codes

  • Antimetabolites
  • Drug / Therapeutic Agent
  • Hypolipidemic Agents
  • Lipid Regulating Agents
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Names and Synonyms

Name of Substance

  • Niceritrol
  • Niceritrol [INN:BAN:DCF:JAN]

MeSH Heading

  • Niceritrol

Synonyms

  • 3-Pyridinecarboxylic acid, 2,2-bis(((3-pyridinylcarbonyl)oxy)methyl)-1,3-propanediyl ester
  • 4-22-00-00376 (Beilstein Handbook Reference)
  • BRN 0377170
  • Bufor
  • Cardiolipol
  • EINECS 227-519-7
  • Niceritrol
  • Niceritrolum
  • Niceritrolum [INN-Latin]
  • Pentaerythritol tetranicotinate
  • Perycit
  • SK 1 (Pharmaceutical)
  • UNII-F54EHJ34MV

Systematic Names

  • 3-Pyridinecarboxylic acid, 2,2-bis(((3-pyridinylcarbonyl)oxy)methyl)-1,3-propanediyl ester
  • Niceritrol
  • Nicotinic acid, neopentanetetrayl ester
  • Pentaerithritol tetranicotinate

Registry Numbers

CAS Registry Number

  • 5868-05-3

FDA UNII

  • F54EHJ34MV

System Generated Number

  • 0005868053

Structure Descriptors

InChI

InChI=1S/C29H24N4O8/c34-25(21-5-1-9-30-13-21)38-17-29(18-39-26(35)22-6-2-10-31-14-22,19-40-27(36)23-7-3-11-32-15-23)20-41-28(37)24-8-4-12-33-16-24/h1-16H,17-20H2

InChIKey

KUEUWHJGRZKESU-UHFFFAOYSA-N

Smiles

O=C(OCC(COC(=O)c1cccnc1)(COC(=O)c2cccnc2)COC(=O)c3cccnc3)c4cccnc4

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD oral > 5gm/kg (5000mg/kg)   Oyo Yakuri. Pharmacometrics. Vol. 14, Pg. 741, 1977.
mouse LD intraperitoneal > 10gm/kg (10000mg/kg)   Oyo Yakuri. Pharmacometrics. Vol. 14, Pg. 741, 1977.
mouse LD oral > 20gm/kg (20000mg/kg)   Oyo Yakuri. Pharmacometrics. Vol. 14, Pg. 741, 1977.
mouse LD subcutaneous > 5gm/kg (5000mg/kg)   Oyo Yakuri. Pharmacometrics. Vol. 14, Pg. 741, 1977.
rabbit LD intraperitoneal > 5gm/kg (5000mg/kg)   Oyo Yakuri. Pharmacometrics. Vol. 14, Pg. 741, 1977.
rabbit LD oral > 10gm/kg (10000mg/kg)   Oyo Yakuri. Pharmacometrics. Vol. 14, Pg. 741, 1977.
rat LD intraperitoneal > 5gm/kg (5000mg/kg)   Oyo Yakuri. Pharmacometrics. Vol. 14, Pg. 741, 1977.
rat LD oral > 20gm/kg (20000mg/kg)   Oyo Yakuri. Pharmacometrics. Vol. 14, Pg. 741, 1977.
rat LD subcutaneous > 5gm/kg (5000mg/kg)   Oyo Yakuri. Pharmacometrics. Vol. 14, Pg. 741, 1977.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 162 deg C   EXP
log P (octanol-water) 1.910 (none)   EST
Atmospheric OH Rate Constant 7.83E-12 cm3/molecule-sec 25 EST

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