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Etofibrate

CAT: 0931-T2554-04Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T2554-04Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
31637-97-5
Target
LDLR, Others
Related Pathways
Others, Metabolism
Purity
0.9942
Bioactivity
Etofibrate is a combination of clofibrate and niacin, used to treat hyperlipemia.
Smiles
CC(C)(Oc1ccc(Cl)cc1)C(=O)OCCOC(=O)c1cccnc1
Molecular Formula
C18H18ClNO5
Molecular Weight
363.79
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Etofibrate

Etofibrate is a monocarboxylic acid.

CAS Number31637-97-5
PubChem CID65777
IUPAC Name2-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxyethyl pyridine-3-carboxylate
Molecular FormulaC18H18ClNO5
Molecular Weight363.8
XLogP3.5
Topological Polar Surface Area74.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count25
Formal Charge0
Complexity449
SMILES
CC(C)(C(=O)OCCOC(=O)C1=CN=CC=C1)OC2=CC=C(C=C2)Cl
InChI
InChI=1S/C18H18ClNO5/c1-18(2,25-15-7-5-14(19)6-8-15)17(22)24-11-10-23-16(21)13-4-3-9-20-12-13/h3-9,12H,10-11H2,1-2H3
InChIKey
XXRVYAFBUDSLJX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Etofibrate
CAS: 31637-97-5
CID: 65777
Formula: C18H18ClNO5
MW: 363.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight363.8
XLogP33.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass363.0873504
Monoisotopic Mass363.0873504
Topological Polar Surface Area74.7 Ų
Heavy Atom Count25
Formal Charge0
Complexity449
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
HY-A0127-01Etofibrate

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