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Lifibrate

CAT: 0931-T27831-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T27831-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
22204-91-7
Target
Others
Related Pathways
Others
Bioactivity
Lifibrate is an inhibitor of cholinephosphotransferase (CPT), phosphatidyl-N, N-dimethylethanolamine N-methyltransferase (PDE-NMT), and phosphatidyl-N-methylethanolamine N-methyltransferase (PME-NMT) .
Smiles
C(OC1=CC=C(Cl)C=C1)(OC2=CC=C(Cl)C=C2)C(OC3CCN(C)CC3)=O
Molecular Formula
C20H21Cl2NO4
Molecular Weight
410.29
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Lifibrate

Lifibrate is a small molecule drug. The usage of the INN stem '-fibrate' in the name indicates that Lifibrate is a clofibrate derivative, peroxisome proliferator activated receptor-a (PPAR-a) agonist. Lifibrate has a monoisotopic molecular weight of 409.08 Da.

CAS Number22204-91-7
PubChem CID31060
IUPAC Name(1-methylpiperidin-4-yl) 2,2-bis(4-chlorophenoxy)acetate
Molecular FormulaC20H21Cl2NO4
Molecular Weight410.3
XLogP5.5
Topological Polar Surface Area48
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count27
Formal Charge0
Complexity433
SMILES
CN1CCC(CC1)OC(=O)C(OC2=CC=C(C=C2)Cl)OC3=CC=C(C=C3)Cl
InChI
InChI=1S/C20H21Cl2NO4/c1-23-12-10-18(11-13-23)25-19(24)20(26-16-6-2-14(21)3-7-16)27-17-8-4-15(22)5-9-17/h2-9,18,20H,10-13H2,1H3
InChIKey
QDGIAPPCJRFVEK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Lifibrate
CAS: 22204-91-7
CID: 31060
Formula: C20H21Cl2NO4
MW: 410.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight410.3
XLogP35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass409.0847635
Monoisotopic Mass409.0847635
Topological Polar Surface Area48 Ų
Heavy Atom Count27
Formal Charge0
Complexity433
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
GTR19197263-01Lifibrate

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