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Clinofibrate

CAT: 1568-C16982-02Size: 200 mgDry Ice: YesHazardous: No
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CAT#:1568-C16982-02Size:200 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
30299-08-2
SKU
C16982-200mg
Target
HMG-CoA Reductase
Applications
Metabolism
Smiles
CCC (C) (C (=O) O) OC1=CC=C (C=C1) C2 (CCCCC2) C3=CC=C (C=C3) OC (C) (CC) C (=O) O
Molecular Formula
C28H36O6
Additionnal Information
Clinofibrate inhibits hydroxymethylglutaryl coenzyme A reductase (HMGCR) with IC50 of 0.47 mM, is a lipid-lowering agent used for controlling high cholesterol and triacylglyceride levels in the blood.
Storage Conditions
2 years -80 in solvent

Chemical Information

Clinofibrate

Clinofibrate is an organic molecular entity.

CAS Number30299-08-2
PubChem CID2787
IUPAC Name2-[4-[1-[4-(2-carboxybutan-2-yloxy)phenyl]cyclohexyl]phenoxy]-2-methylbutanoic acid
Molecular FormulaC28H36O6
Molecular Weight468.6
XLogP7.5
Topological Polar Surface Area93.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Heavy Atom Count34
Formal Charge0
Complexity633
SMILES
CCC(C)(C(=O)O)OC1=CC=C(C=C1)C2(CCCCC2)C3=CC=C(C=C3)OC(C)(CC)C(=O)O
InChI
InChI=1S/C28H36O6/c1-5-26(3,24(29)30)33-22-14-10-20(11-15-22)28(18-8-7-9-19-28)21-12-16-23(17-13-21)34-27(4,6-2)25(31)32/h10-17H,5-9,18-19H2,1-4H3,(H,29,30)(H,31,32)
InChIKey
BMOVQUBVGICXQN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Clinofibrate
CAS: 30299-08-2
CID: 2787
Formula: C28H36O6
MW: 468.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight468.6
XLogP37.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Exact Mass468.25118886
Monoisotopic Mass468.25118886
Topological Polar Surface Area93.1 Ų
Heavy Atom Count34
Formal Charge0
Complexity633
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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