Home Other Building Blocks Atorvastatin N-(3,5-Dihydroxy-7-heptanoic Acid)amide

Atorvastatin N-(3,5-Dihydroxy-7-heptanoic Acid)amide

CAS No.:
1105067-87-5
Catalog Number:
AG008WRW
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG008WRW
Chemical Name:
Atorvastatin N-(3,5-Dihydroxy-7-heptanoic Acid)amide
CAS Number:
1105067-87-5
IUPAC Name:
calcium;(3R,5R)-7-[[(3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoyl]amino]-3,5-dihydroxyheptanoate
InChI:
InChI=1S/2C40H48FN3O8.Ca/c2*1-25(2)38-37(40(52)43-29-11-7-4-8-12-29)36(26-9-5-3-6-10-26)39(27-13-15-28(41)16-14-27)44(38)20-18-31(46)22-32(47)23-34(49)42-19-17-30(45)21-33(48)24-35(50)51;/h2*3-16,25,30-33,45-48H,17-24H2,1-2H3,(H,42,49)(H,43,52)(H,50,51);/q;;+2/p-2/t2*30-,31-,32-,33-;/m11./s1
InChI Key:
CETKLOGGRFIZAH-WGRAOLKJSA-L
Properties
Complexity:
1090  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
8  
Defined Bond Stereocenter Count:
0
Exact Mass:
1472.632g/mol
Formal Charge:
0
Heavy Atom Count:
105  
Hydrogen Bond Acceptor Count:
18  
Hydrogen Bond Donor Count:
12  
Isotope Atom Count:
0
Molecular Weight:
1473.733g/mol
Monoisotopic Mass:
1472.632g/mol
Rotatable Bond Count:
36  
Topological Polar Surface Area:
368A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties