6'-Carboxy Simvastatin

Base Information

• Chemical Name: 6'-Carboxy Simvastatin
• CAS No.: 114883-30-6
• Molecular Formula: C₂₅H₃₆O₇
• Molecular Weight: 448.557
• ChEMBL ID: CHEMBL3544679
• DSSTox Substance ID: DTXSID60559544
• Wikidata: Q82442292
• Mol file: 114883-30-6.mol

Synonyms:6'-Carboxy Simvastatin;114883-30-6;(2R,4S,4aR,5S,6S)-4-(2,2-dimethylbutanoyloxy)-5-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-6-methyl-2,3,4,4a,5,6-hexahydronaphthalene-2-carboxylic acid;SCHEMBL8010114;CHEMBL3544679;DTXSID60559544;(2R,4S,4aR,5S,6S)-4-[(2,2-Dimethylbutanoyl)oxy]-5-{2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl}-6-methyl-2,3,4,4a,5,6-hexahydronaphthalene-2-carboxylic acid

Chemical Property of 6'-Carboxy Simvastatin

Chemical Property:

• Boiling Point: 639.3±55.0 °C(Predicted)
• PKA: 3.87±0.70(Predicted)
• PSA: 110.13000
• Density: 1.21±0.1 g/cm3(Predicted)
• LogP: 3.65030
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 8
• Exact Mass: 448.24610348
• Heavy Atom Count: 32
• Complexity: 796

Purity/Quality:

97% ^*data from raw suppliers

6’-CarboxySimvastatin ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O)C(=O)O
• Isomeric SMILES: CCC(C)(C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O)C(=O)O
• Uses: 6'-Carboxy Simvastatin is a HMG-COA reductase inhibitor; useful as anticholesteramic.

Technology Process of 6'-Carboxy Simvastatin

There total 1 articles about 6'-Carboxy Simvastatin which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

→ 6(R)-[2-[8(S)-(2,2-dimethylbutyryloxy)-2(S)-methyl-6(R)-carboxy-1,2,6,7,8,8a(R)-hexahydronaphthyl-1(S)]ethyl]-4(R)-hydroxy-3,4,5,6-tetrahydro-2H-pyran-2-one (114883-30-6)

Guidance literature: