Bervastatin

Base Information

• Chemical Name: Bervastatin
• CAS No.: 132017-01-7
• Molecular Formula: C28H31 F O5
• Molecular Weight: 466.546
• UNII: 057SF9C1UZ
• DSSTox Substance ID: DTXSID001021588
• Wikidata: Q27236091
• NCI Thesaurus Code: C77441
• Mol file: 132017-01-7.mol

Synonyms:Bervastatin;132017-01-7;Bervastatin [INN];UNII-057SF9C1UZ;057SF9C1UZ;ethyl (E,3S,5R)-7-[4-(4-fluorophenyl)spiro[chromene-2,1'-cyclopentane]-3-yl]-3,5-dihydroxyhept-6-enoate;LS-2904;D0L1LJ;SCHEMBL49336;C28H31FO5;DTXSID001021588;C28-H31-F-O5;Q27236091;6-Heptenoic acid, 7-(4-(4-fluorophenyl)spiro(2H-1-benzopyran-2,1'-cyclopentan)-3-yl)-3,5-dihydroxy-, ethyl ester, (3R,5S,6E)-rel-;Ethyl (+-)-(3R*,5S*,6E)-7-(4-(p-fluorophenyl)spiro(2H-1-benzopyran-2,1'-cyclopentan)-3-yl)-3,5-dihydroxy-6-heptenoate;ETHYL (+/-)-(3R*,5S*,6E)-7-(4-(P-FLUOROPHENYL)SPIRO(2H-1-BENZOPYRAN-2,1'-CYCLOPENTAN)-3-YL)-3,5-DIHYDROXY-6-HEPTENOATE

Chemical Property of Bervastatin

Chemical Property:

• Vapor Pressure: 8.19E-18mmHg at 25°C
• Melting Point: 112-114 °C(Solv: ethyl acetate (141-78-6))
• Boiling Point: 650.6°C at 760 mmHg
• PKA: 13.91±0.20(Predicted)
• Flash Point: 347.3°C
• PSA: 75.99000
• Density: 1.26g/cm³
• LogP: 4.95410
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 9
• Exact Mass: 466.21555225
• Heavy Atom Count: 34
• Complexity: 748

Purity/Quality:

BERVASTATIN 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CC(CC(C=CC1=C(C2=CC=CC=C2OC13CCCC3)C4=CC=C(C=C4)F)O)O
• Isomeric SMILES: CCOC(=O)C[C@H](C[C@H](/C=C/C1=C(C2=CC=CC=C2OC13CCCC3)C4=CC=C(C=C4)F)O)O