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501121-34-2,MFCD09839951
Catalog No.:AA00DF6Q

501121-34-2 | S,S-Atorvastatin

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5mg
95%
in stock  
$481.00   $337.00
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  • Technical Information
  • Properties
  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA00DF6Q
Chemical Name:
S,S-Atorvastatin
CAS Number:
501121-34-2
Molecular Formula:
C33H35FN2O5
Molecular Weight:
558.6398
MDL Number:
MFCD09839951
SMILES:
O[C@H](C[C@@H](CC(=O)O)O)CCn1c(C(C)C)c(c(c1c1ccc(cc1)F)c1ccccc1)C(=O)Nc1ccccc1
Properties
Computed Properties
 
Complexity:
829  
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
2  
Heavy Atom Count:
42  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Rotatable Bond Count:
12  

Literature

Title: Thomas A Kocarek, et al. Regulation of CYP2B6 and CYP3A Expression by Hydroxymethylglutaryl Coenzyme A Inhibitors in Primary Cultured Human Hepatocytes. Drug Metab Dispos. 2002 Dec;30(12):1400-5.

Title: Martina Korhonova, et al. Optical Isomers of Atorvastatin, Rosuvastatin and Fluvastatin Enantiospecifically Activate Pregnane X Receptor PXR and Induce CYP2A6, CYP2B6 and CYP3A4 in Human Hepatocytes. PLoS One. 2015 Sep 14;10(9):e0137720.

Title: Elena G Shcherbakova , et al. High-Throughput Assay for Enantiomeric Excess Determination in 1,2- And 1,3-Diols and Direct Asymmetric Reaction Screening. Chemistry. 2017 Jul 26;23(42):10222-10229.

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Tags:501121-34-2 Molecular Formula|501121-34-2 MDL|501121-34-2 SMILES|501121-34-2 S,S-Atorvastatin