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Home Other Building Blocks 145576-26-7
145576-26-7,MFCD22683763
Catalog No.:AA00ADNF

145576-26-7 | Simvastatin Hydroxy Acid Methyl Ester

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Technical Information
Catalog Number:
AA00ADNF
Chemical Name:
Simvastatin Hydroxy Acid Methyl Ester
CAS Number:
145576-26-7
Molecular Formula:
C26H42O6
Molecular Weight:
450.6081
MDL Number:
MFCD22683763
SMILES:
COC(=O)C[C@@H](C[C@@H](CC[C@H]1[C@@H](C)C=CC2=C[C@@H](C[C@@H]([C@H]12)OC(=O)C(CC)(C)C)C)O)O
Properties
Computed Properties
 
Complexity:
709  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
7  
Heavy Atom Count:
32  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
12  
XLogP3:
4.2  

Literature
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Additional Info:
SDS
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Tags:145576-26-7 Molecular Formula|145576-26-7 MDL|145576-26-7 SMILES|145576-26-7 Simvastatin Hydroxy Acid Methyl Ester