Basic information
- CAS
163217-67-2- Standard SMILES
CC(C)C(=O)C(C(=O)Nc1ccc(OCc2ccccc2)cc1)C(C(=O)c1ccc(F)cc1)c1ccccc1- InChIKey
GQGGAQUHBXLZMT-UHFFFAOYSA-N- Molecular formula
- C33H30FNO4
- Average molar mass
- 523.6 g/mol
- Monoisotopic mass
- 523.2158866
Names & identifiers
- Preferred name
- 2-[2-(4-Fluorophenyl)-2-oxo-1-phenyl-ethyl]-4-methyl-3-oxo-pentanoic Acid, (4-Benzyloxy-phenyl)-amide
- IUPAC
- 2-[2-(4-fluorophenyl)-2-oxo-1-phenylethyl]-4-methyl-3-oxo-N-(4-phenylmethoxyphenyl)pentanamide
- English name
- 2-[2-(4-Fluorophenyl)-2-oxo-1-phenyl-ethyl]-4-methyl-3-oxo-pentanoic Acid, (4-Benzyloxy-phenyl)-amide
- Molecular formula
- C33H30FNO4
- Molecular weight
- 523.59
Names & synonyms
163217-67-22-[2-(4-Fluorophenyl)-2-oxo-1-phenyl-ethyl]-4-methyl-3-oxo-pentanoic Acid, (4-Benzyloxy-phenyl)-amide2-[2-(4-fluorophenyl)-2-oxo-1-phenylethyl]-4-methyl-3-oxo-N-(4-phenylmethoxyphenyl)pentanamideN-(4-(Benzyloxy)phenyl)-2-(2-(4-fluorophenyl)-2-oxo-1-phenylethyl)-4-methyl-3-oxopentanamide4-Fluoro-alpha-(2-methyl-1-oxopropyl)-gamma-oxo-beta-phenyl-N-[4-(phenylmethoxy)phenyl]benzenebutanamide; 4-Methyl-3-oxo-N-(4-benzyloxyphenyl)-2-[1-phenyl-2-(4-fluorophenyl)-2-oxoethyl]pentamide;N-[4-(Benzyloxy)phenyl]-2-[2-(4-fluorophenyl)-2-oxo-1-phenylethyl]-4-methyl-3-oxopentanamideSCHEMBL7809647DTXSID90443609AKOS0302557322-[2-(4-Fluorophenyl)-2-oxo-1-phenyl-ethyl]-4-methyl-3-oxo-pentanoic Acid, (4-Benzyloxy-phenyl)-amid4-Methyl-3-oxo-N-(4-benzyloxyphenyl)-2-[1-phenyl-2-(4-fluorophenyl)-2-oxoethyl]pentaMide4-Fluoro-α-(2-Methyl-1-oxopropyl)-γ-oxo-β-phenyl-N-[4-(phenylMethoxy)phenyl]benzenebutanaMide
Show more names
Benzenebutanamide, 4-fluoro-α-(2-methyl-1-oxopropyl)-γ-oxo-β-phenyl-N-[4-(phenylmethoxy)phenyl]-
Properties
Computed structural properties
- XLogP
- 7.2
- Topological polar surface area
- 72.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 788
Physicochemical properties
- solubility
- soluble in Acetone, Chloroform, Dichloromethane, Ethyl Acetate
- form
- Solid
- color
- Off-White
Chemistry & industry
Applications
UsesA intermediate of the metabolite of Atorvastin, a selective, competitive HMG-CoA reductase inhibitor. Atorvastin is the only drug in its class specfically indicated for lowering both elevated LDL-cholesterol and triglycerides in patients with hypercholesterolemia.
UsesAn intermediate of the metabolite of Atorvastin, a selective, competitive HMG-CoA reductase inhibitor. Atorvastin is the only drug in its class specfically indicated for lowering both elevated LDL-cholesterol and triglycerides in patients with hypercholesterolemia.
Suppliers6 total
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…