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Choline Fenofibrate

CAT: 0607-A3308-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-A3308-50Size:50 mg
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Description
Choline salt of fenofibric acid
CAS Number
856676-23-8
Product Name Alternative
2-hydroxy-N,N,N-trimethylethanaminium 2-(4-(4-chlorobenzoyl)phenoxy)-2-methylpropanoate
Sequence
ABT-335;ABT 335;ABT335
Field of Research
Immunology Inflammation IκB IKK
Purity
0.9992
Form
A solid
Solubility
≥106.6 mg/mL in H2O; ≥55.8 mg/mL in EtOH with gentle warming; ≥8.44 mg/mL in DMSO with gentle warming
Smiles
CC(C([O-])=O)(OC1=CC=C(C(C2=CC=C(Cl)C=C2)=O)C=C1)C.C[N+](C)(CCO)C
Molecular Formula
C22H28ClNO5
Molecular Weight
421.91
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Choline Fenofibrate

Choline Fenofibrate is a choline formulation of fenofibrate, a synthetic phenoxy-isobutyric acid derivate and prodrug with antihyperlipidemic activity.

CAS Number856676-23-8
PubChem CID11350701
IUPAC Name2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate;2-hydroxyethyl(trimethyl)azanium
Molecular FormulaC22H28ClNO5
Molecular Weight421.9
Topological Polar Surface Area86.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count29
Formal Charge0
Complexity446
SMILES
CC(C)(C(=O)[O-])OC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Cl.C[N+](C)(C)CCO
InChI
InChI=1S/C17H15ClO4.C5H14NO/c1-17(2,16(20)21)22-14-9-5-12(6-10-14)15(19)11-3-7-13(18)8-4-11;1-6(2,3)4-5-7/h3-10H,1-2H3,(H,20,21);7H,4-5H2,1-3H3/q;+1/p-1
InChIKey
JWAZHODZSADEHB-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Choline Fenofibrate
CAS: 856676-23-8
CID: 11350701
Formula: C22H28ClNO5
MW: 421.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight421.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass421.1656007
Monoisotopic Mass421.1656007
Topological Polar Surface Area86.7 Ų
Heavy Atom Count29
Formal Charge0
Complexity446
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
T3941-01Choline Fenofibrate
CS-T-101670Choline Fenofibrate-d6
HY-14739R-01Choline Fenofibrate (Standard)
A15044-50Choline Fenofibrate 50mg
A15044-100Choline Fenofibrate 100mg
A15044-25Choline Fenofibrate 25mg

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