Liporeduct Forte

Synopsis, Chemistry

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Also known as: 57456-45-8, 2-(4-chlorophenoxy)-2-methylpropanoic acid;[2,3,4,5,6-pentakis(pyridine-3-carbonyloxy)cyclohexyl] pyridine-3-carboxylate, Clofibrate - inositol hexanicotinate mixture, Inositol hexanicotinate - clofibrate mixture, Clofibrate mixture with inositol hexanicotinate, Clofibrate - inositol nicotinate

Molecular Formula

C₅₂H₄₁ClN₆O₁₅

Molecular Weight

1025.4 g/mol

InChI Key

GMZMSRVZQKDYFL-UHFFFAOYSA-N

1 2D Structure

Liporeduct Forte

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-(4-chlorophenoxy)-2-methylpropanoic acid;[2,3,4,5,6-pentakis(pyridine-3-carbonyloxy)cyclohexyl] pyridine-3-carboxylate

2.1.2 InChI

InChI=1S/C42H30N6O12.C10H11ClO3/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;1-10(2,9(12)13)14-8-5-3-7(11)4-6-8/h1-24,31-36H;3-6H,1-2H3,(H,12,13)

2.1.3 InChI Key

GMZMSRVZQKDYFL-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(C)(C(=O)O)OC1=CC=C(C=C1)Cl.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

2.2 Synonyms

2.2.1 MeSH Synonyms

1. Clofibrate - Inositol Nicotinate

2. Clofibrate, Inositol Nicotinate Drug Combination

3. Liporeduct

2.2.2 Depositor-Supplied Synonyms

1. 57456-45-8

2. 2-(4-chlorophenoxy)-2-methylpropanoic Acid;[2,3,4,5,6-pentakis(pyridine-3-carbonyloxy)cyclohexyl] Pyridine-3-carboxylate

3. Clofibrate - Inositol Hexanicotinate Mixture

4. Inositol Hexanicotinate - Clofibrate Mixture

5. Clofibrate Mixture With Inositol Hexanicotinate

6. Clofibrate - Inositol Nicotinate

7. Clofibrate, Inositol Nicotinate Drug Combination

8. Myo-inositol, Hexa-3-pyridinecarboxylate, Mixt. With 2-(4-chlorophenoxy)-2-methylpropanoic Acid

2.3 Create Date

2007-01-09

3 Chemical and Physical Properties

Molecular Formula	C₅₂H₄₁ClN₆O₁₅
Molecular Weight	1025.4 g/mol
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	21
Rotatable Bond Count	21
Exact Mass	1024.2318423 g/mol
Monoisotopic Mass	1024.2318423 g/mol
Topological Polar Surface Area	282 Å²
Heavy Atom Count	74
Formal Charge	0
Complexity	1420
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2