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Anacetrapib

CAT: 0127-BUP15326-05Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP15326-05Size:100 mg
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CAS Number
875446-37-0
Synonyms
MK-0859
Purity
=95%
Smiles
COc1cc(F)c(cc1-c1ccc(cc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(C)C

Chemical Information

Anacetrapib

Anacetrapib is a cholesteryl ester transfer protein (CETP) inhibitor with hypocholesterolemic properties. Anacetrapib reduces the transfer of cholesteryl ester from HDL to LDL and/or VLDL thereby, producing an increase in serum HDL-cholesterol levels and a decrease in serum LDL-cholesterol levels. This agent has not yet been shown to reduce deaths associated with hypercholesterolemia.

CAS Number875446-37-0
PubChem CID11556427
IUPAC Name(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one
Molecular FormulaC30H25F10NO3
Molecular Weight637.5
XLogP8.8
Topological Polar Surface Area38.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count13
Rotatable Bond Count6
Heavy Atom Count44
Formal Charge0
Complexity964
SMILES
C[C@H]1[C@H](OC(=O)N1CC2=C(C=CC(=C2)C(F)(F)F)C3=CC(=C(C=C3OC)F)C(C)C)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C30H25F10NO3/c1-14(2)22-11-23(25(43-4)12-24(22)31)21-6-5-18(28(32,33)34)9-17(21)13-41-15(3)26(44-27(41)42)16-7-19(29(35,36)37)10-20(8-16)30(38,39)40/h5-12,14-15,26H,13H2,1-4H3/t15-,26-/m0/s1
InChIKey
MZZLGJHLQGUVPN-HAWMADMCSA-N
Chemical Structure
2D Structure
2D structure of Anacetrapib
CAS: 875446-37-0
CID: 11556427
Formula: C30H25F10NO3
MW: 637.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight637.5
XLogP38.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count13
Rotatable Bond Count6
Exact Mass637.16747528
Monoisotopic Mass637.16747528
Topological Polar Surface Area38.8 Ų
Heavy Atom Count44
Formal Charge0
Complexity964
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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