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Nicomol

CAT: 0931-T24532-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T24532-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
27959-26-8
Target
Others
Related Pathways
Others
Bioactivity
Nicomol is a niacin derivative. It also has antilipidemic activity.
Smiles
C(OC(=O)C=1C=CC=NC1)C2(COC(=O)C=3C=CC=NC3)C(O)C(COC(=O)C=4C=CC=NC4)(COC(=O)C=5C=CC=NC5)CCC2
Molecular Formula
C34H32N4O9
Molecular Weight
640.64
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Nicomol

Nicomol is an organic molecular entity.

CAS Number27959-26-8
PubChem CID34081
IUPAC Name[2-hydroxy-1,3,3-tris(pyridine-3-carbonyloxymethyl)cyclohexyl]methyl pyridine-3-carboxylate
Molecular FormulaC34H32N4O9
Molecular Weight640.6
XLogP2.8
Topological Polar Surface Area177
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count13
Rotatable Bond Count16
Heavy Atom Count47
Formal Charge0
Complexity926
SMILES
C1CC(C(C(C1)(COC(=O)C2=CN=CC=C2)COC(=O)C3=CN=CC=C3)O)(COC(=O)C4=CN=CC=C4)COC(=O)C5=CN=CC=C5
InChI
InChI=1S/C34H32N4O9/c39-28(24-6-1-12-35-16-24)44-20-33(21-45-29(40)25-7-2-13-36-17-25)10-5-11-34(32(33)43,22-46-30(41)26-8-3-14-37-18-26)23-47-31(42)27-9-4-15-38-19-27/h1-4,6-9,12-19,32,43H,5,10-11,20-23H2
InChIKey
VRAHPESAMYMDQI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Nicomol
CAS: 27959-26-8
CID: 34081
Formula: C34H32N4O9
MW: 640.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight640.6
XLogP32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count13
Rotatable Bond Count16
Exact Mass640.21692861
Monoisotopic Mass640.21692861
Topological Polar Surface Area177 Ų
Heavy Atom Count47
Formal Charge0
Complexity926
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS3846688-01Nicomol
HY-121776RNicomol (Standard)
A22154-50Nicomol 50mg
A22154-10Nicomol 10mg
A22154-100Nicomol 100mg
A22154-5Nicomol 5mg
A22154-25Nicomol 25mg

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