ChemicalBook--->CAS DataBase List--->6556-11-2

6556-11-2

6556-11-2 Structure

6556-11-2 Structure
IdentificationMore
[Name]

Inositol nicotinate
[CAS]

6556-11-2
[Synonyms]

inositol hexa-3-pyridinecarboxylate
INOSITOL HEXANICOTINATE
INOSITOL NIACINATE
INOSITOL NICOTINATE
MYO-INOSITOL HEXA-3-PYRIDINECARBOXYLATE
MYO-INOSITOL HEXANICOTINATE
dilcit
dilexpal
esantene
hexanicit
hexanicotinate,myo-inosito
hexanicotinoylinositol
hexanicotol
hexopal
linodil
meso-inositolhexanicotinate
mesonex
mesotal
m-inositolhexanicotinate
INOSITOLI NICOTINAS
[EINECS(EC#)]

229-485-9
[Molecular Formula]

C12H15NO7
[MDL Number]

MFCD00006387
[Molecular Weight]

285.25
[MOL File]

6556-11-2.mol
Chemical PropertiesBack Directory
[Melting point ]

254-256 °C(lit.)
[Boiling point ]

755.54°C (rough estimate)
[density ]

1.3348 (rough estimate)
[refractive index ]

1.6400 (estimate)
[storage temp. ]

Inert atmosphere,Room Temperature
[solubility ]

Aqueous Acid (Slightly, Heated), DMSO (Slightly, Heated, Sonicated)
[form ]

Solid
[pka]

3.92±0.10(Predicted)
[color ]

White to Off-White
[Merck ]

13,5002
[InChIKey]

MFZCIDXOLLEMOO-GYSGTQPESA-N
[SMILES]

[C@@H]1(OC(C2=CC=CN=C2)=O)[C@@H](OC(C2=CC=CN=C2)=O)[C@H](OC(C2=CC=CN=C2)=O)[C@@H](OC(C2=CC=CN=C2)=O)[C@H](OC(C2=CC=CN=C2)=O)[C@@H]1OC(C1=CC=CN=C1)=O
[LogP]

3.945 (est)
[CAS DataBase Reference]

6556-11-2(CAS DataBase Reference)
[EPA Substance Registry System]

6556-11-2(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H319-H335-H315
[Precautionary statements ]

P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[WGK Germany ]

2
[RTECS ]

NM7535400
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Inositol nicotinate(6556-11-2).msds
Hazard InformationBack Directory
[Originator]

Hexanicotol,Philadelphia,US,1962
[Uses]

benzidine substitute
[Uses]

myo-Inositol Hexanicotinate is an nicotinate conjugate of myo-inositol, an structural basis for a number of secondary messengers.
[Definition]

ChEBI: Inositol hexanicotinate is an inositol nicotinate. It is functionally related to a nicotinic acid.
[Manufacturing Process]

100 g of nicotinic acid were suspended in 265 ml of distilled and dried pyridine without stirring. 68 g of phosphorus oxychloride were added dropwise to this mixture under continual stirring. The temperature of the reactants, initially at 20°C, was allowed to rise to about 60°C, and this temperature was maintained for a further 60 minutes. Thereafter 24.5 g of meso-inositol wereadded gradually, the temperature being controlled so that it did not exceed about 80°C. The reactants were maintained at this temperature for from 2 to 3 hours, and thereafter the reaction mixture was poured into 500 ml of water. The pyridine salts formed during the reaction readily dissolved, and the mesoinositol hexanicotinate which had formed crystallized out. The ester was filtered off and washed with water and acetone or alcohol. Finally, the mesoinositol hexanicotinate was dried at 100°C.
The yield was 90%, the melting point of the product was 258°C to 260°C. and the chlorine content <0.01%.
[Brand name]

Hexopal (Sterling Winthrop); Linodil (Sterling Winthrop); Palohex (Sterling Winthrop).
[Therapeutic Function]

Vasodilator
[Clinical Use]


Peripheral vascular disease

Hyperlipidaemia
[Drug interactions]

Potentially hazardous interactions with other drugs
Statins: increased risk of myopathy.
[Metabolism]

Inositol nicotinate is believed to be slowly hydrolysed to nicotinic acid. The main route of metabolism is then conversion to N-methylnicotinamide and the 2-pyridone and 4-pyridone derivatives; nicotinuric acid is also formed.
Small amounts of nicotinic acid are excreted unchanged in urine.
Spectrum DetailBack Directory
[Spectrum Detail]

Inositol nicotinate(6556-11-2)IR1
Inositol nicotinate(6556-11-2)IR2
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

6556-11-2(sigmaaldrich)
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