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Home> Encyclopedia > Hot Product Listed C   > cerivastatin
71680-88-1 structure

cerivastatin

Iupac Name:(2-amino-1,3-benzothiazol-6-yl) propanoate
CAS No.:71680-88-1
Molecular Weight:222.262
Molecular Formula:C27H44O4 (isomer)
Names and Identifiers
Synonyms

(3R,5S,6E)-7-[4-(p-Fluorophenyl)-2,6-diisopropyl-5-(methoxymethyl)-3-pyridyl]-3,5-dihydroxy-6-heptenoic acid 7-[4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-dipropan-2-yl-pyrid in-3-yl]-3,5-dihydroxy-hept-6-enoate BAYCOL CERIVASTATIN NA CERIVASTATIN, SODIUM SALT LIPOBAY RIVASTATIN sodium 7-[4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-dipropan-2-yl-pyrid in-3-yl]-3,5-dihydroxy-hept-6-enoate

Inchi
InChI=1S/C10H10N2O2S/c1-2-9(13)14-6-3-4-7-8(5-6)15-10(11)12-7/h3-5H,2H2,1H3,(H2,11,12)
InChkey
ZRIHHYPHUZUDGP-UHFFFAOYSA-N
Canonical Smiles
CCC(=O)OC1=CC2=C(C=C1)N=C(S2)N
Properties
Density
0.831
Flash Point
317.3°C
Solubility
In water, 2.4X10-1 mg/L at 25 deg C (est)
Color/Form
off-white
Storage temp
−20°C
Safety and Handling
Formulations/Preparations
Trade name (sodium salt): Baycol (Bayer, Smith Kline Beecham), Lipobay (Bayer), Zenas (Fournier)
Exposure Standards and Regulations
FDA announced on August 8, 2001 that Bayer Pharmaceutical Division is voluntarily withdrawing Baycol (cerivastatin) from the U.S. market because of reports of sometimes fatal rhabdomyolysis, a severe muscle adverse reaction from this cholesterol-lowering (lipid-lowering) product. The FDA agrees with and supports this decision.
Octanol/Water Partition Coefficient
log Kow = 4.83 (est)
Disposal Methods
SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational exposure or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air quality; potential migration in soil or water; effects on animal, aquatic, and plant life; and conformance with environmental and public health regulations.
Computational chemical data
  • Molecular Weight:222.262g/mol
  • Molecular Formula:C27H44O4
  • Compound Is Canonicalized:True
  • XLogP3-AA:2.6
  • Exact Mass:222.046
  • Monoisotopic Mass:222.046
  • Complexity:250
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:93.4A^2
  • Heavy Atom Count:15
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccBzMABAAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAFgB8AAAHgQQAAAACAyB1gAz37JIFAis ASTybACD+KlhKjlImD02bJiMJqLksZuGOijkwBNI6CewQAAAAEAABAAAAQAAgAAIAAACAAAAAAAA AA==
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