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Atorvastatin Methyl Ester

CAS No.:
345891-62-5
Catalog Number:
AG00CA16
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00CA16
Chemical Name:
Atorvastatin Methyl Ester
CAS Number:
345891-62-5
MDL Number:
MFCD21363420
IUPAC Name:
methyl (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate
InChI:
InChI=1S/C34H37FN2O5/c1-22(2)32-31(34(41)36-26-12-8-5-9-13-26)30(23-10-6-4-7-11-23)33(24-14-16-25(35)17-15-24)37(32)19-18-27(38)20-28(39)21-29(40)42-3/h4-17,22,27-28,38-39H,18-21H2,1-3H3,(H,36,41)/t27-,28-/m1/s1
InChI Key:
IRKGCTGBOBRSMG-VSGBNLITSA-N
Properties
Complexity:
838  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
572.269g/mol
Formal Charge:
0
Heavy Atom Count:
42  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
572.677g/mol
Monoisotopic Mass:
572.269g/mol
Rotatable Bond Count:
13  
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3  
Properties