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5868-05-3

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Basic Information
CAS No.: 5868-05-3
Name: Pentaerythritoltetranicotinate
Article Data: 7
Molecular Structure:
Molecular Structure of 5868-05-3 (Pentaerythritoltetranicotinate)
Formula: C29H24 N4 O8
Molecular Weight: 556.532
Synonyms: 3-Pyridinecarboxylicacid, 2,2-bis[[(3-pyridinylcarbonyl)oxy]methyl]-1,3-propanediyl ester (9CI);Nicotinic acid, neopentanetetrayl ester (7CI,8CI); Pentaerythritol,tetranicotinate (8CI); 8-AL; Bufor; Niceritrol; Perycit; SK 1; SK 1(pharmaceutical)
Density: 1.347g/cm3
Melting Point: reported as 160-162° and as 163-164°
Boiling Point: 746.7°Cat760mmHg
Flash Point: 405.4°C
Safety: Mildly toxic by ingestion. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of NOx. See also ESTERS.
PSA: 156.76000
LogP: 2.98080
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Chemistry

Chemistry informtion about Niceritrol (CAS NO.5868-05-3) is:
IUPAC Name: [3-(Pyridine-3-Carbonyloxy)-2,2-Bis(Pyridine-3-Carbonyloxymethyl)Propyl] Pyridine-3-Carboxylate
Synonyms: Tert-Nitrooctane ; Nitrous Acid N-Pentyl Ester ; N-Pentyl Nitrite ; Pentyl Nitrite ; N-Amyl Nitrite ; Nitramyl ; Nitrous Acid, Pentyl Ester ; Nitrousacid,Pentylester
MW: 556.522860 g/mol
MF: C29H24N4O8
EINECS: 227-519-7 
Density: 1.347 g/cm3
Flash Point: 405.4 °C
Boiling Point: 746.7 °C at 760 mmHg
Vapour Pressure: 3.58E-22 mmHg at 25°C
Enthalpy of Vaporization: 108.86 kJ/mol
Following is the molecular structure of Niceritrol (CAS NO.5868-05-3) is:

Uses

 Niceritrol (CAS NO.5868-05-3) can be used as a hypolipidemic agent.

Toxicity Data With Reference

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.

Safety Profile

Mildly toxic by ingestion. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of NOx. See also ESTERS.

Specification

Niceritrol is a niacin derivative.