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Inositol niacinate - 98%, high purity , CAS No.6556-11-2

  • Cas Number:  6556-11-2
  • Molecular Weight:  810.72
  • PubChem CID: 3720
In stock
Item Number
I413208
Grouped product items
SKU Size
Availability
Price Qty
I413208-25g
25g
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$18.90
I413208-100g
100g
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$52.90

Basic Description

Synonyms Inositol nicotinate | Inositol niacinate | 6556-11-2 | inositol hexanicotinate | Mesotal | Dilexpal | Hexanicotol | myo-Inositol hexanicotinate | Hexanicit | Esantene | Dilcit | Mesonex | Hexopal | Linodil | Palohex | Hexanicotinoyl inositol | Inositoli nicotinas | Win 9154 | Hamovannad | Ham
Specifications & Purity Moligand™, ≥98%
Biochemical and Physiological Mechanisms Inositol Niacinate (Inositol hexanicotinate, Myo-Inositol hexanicotinate) is a formulation of niacin, which is also called vitamin B3, an essential human nutrient.
Storage Temp Store at -20°C,Argon charged
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Grade Moligand™
Product Description

Inositol Niacinate (Inositol hexanicotinate, Myo-Inositol hexanicotinate) is a formulation of niacin, which is also called vitamin B3, an essential human nutrient.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Organic acids and derivatives
Class Carboxylic acids and derivatives
Subclass Hexacarboxylic acids and derivatives
Intermediate Tree Nodes Not available
Direct Parent Hexacarboxylic acids and derivatives
Alternative Parents Pyridinecarboxylic acids  Cyclitols and derivatives  Heteroaromatic compounds  Carboxylic acid esters  Azacyclic compounds  Organopnictogen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular Framework Aromatic heteromonocyclic compounds
Substituents Hexacarboxylic acid or derivatives - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Cyclitol or derivatives - Pyridine - Heteroaromatic compound - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
Description This compound belongs to the class of organic compounds known as hexacarboxylic acids and derivatives. These are carboxylic acids containing exactly six carboxyl groups.
External Descriptors inositol nicotinate

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Mus musculus (284745 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Mechanisms of Action

Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References

Names and Identifiers

IUPAC Name [2,3,4,5,6-pentakis(pyridine-3-carbonyloxy)cyclohexyl] pyridine-3-carboxylate
INCHI InChI=1S/C42H30N6O12/c49-37(25-7-1-13-43-19-25)55-31-32(56-38(50)26-8-2-14-44-20-26)34(58-40(52)28-10-4-16-46-22-28)36(60-42(54)30-12-6-18-48-24-30)35(59-41(53)29-11-5-17-47-23-29)33(31)57-39(51)27-9-3-15-45-21-27/h1-24,31-36H
InChIKey MFZCIDXOLLEMOO-UHFFFAOYSA-N
Smiles C1=CC(=CN=C1)C(=O)OC2C(C(C(C(C2OC(=O)C3=CN=CC=C3)OC(=O)C4=CN=CC=C4)OC(=O)C5=CN=CC=C5)OC(=O)C6=CN=CC=C6)OC(=O)C7=CN=CC=C7
Isomeric SMILES C1=CC(=CN=C1)C(=O)OC2C(C(C(C(C2OC(=O)C3=CN=CC=C3)OC(=O)C4=CN=CC=C4)OC(=O)C5=CN=CC=C5)OC(=O)C6=CN=CC=C6)OC(=O)C7=CN=CC=C7
Molecular Weight 810.72
Reaxy-Rn 471091
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=471091&ln=

Certificates(CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

4 results found

Lot Number Certificate Type Date Item
A2521384 Certificate of Analysis Jan 03, 2025 I413208
A2522228 Certificate of Analysis Jan 03, 2025 I413208
A2521385 Certificate of Analysis Jan 03, 2025 I413208
A2521386 Certificate of Analysis Jan 03, 2025 I413208

Chemical and Physical Properties

Melt Point(°C) 254-256° C (lit.)
Molecular Weight 810.700 g/mol
XLogP3 3.300
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 18
Rotatable Bond Count 18
Exact Mass 810.192 Da
Monoisotopic Mass 810.192 Da
Topological Polar Surface Area 235.000 Ų
Heavy Atom Count 60
Formal Charge 0
Complexity 1210.000
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
The total count of all stereochemical bonds 0
Covalently-Bonded Unit Count 1

Solution Calculators

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