6Carboxy Simvastatin
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6Carboxy Simvastatin
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CAS No:
125206-31-7
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Formula:
C25H36O7
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Chemical Name:
6Carboxy Simvastatin
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Synonyms:
6Carboxy Simvastatin;([4S-[4 ,4a ,5 (2S*,4S*),6 ]]-4(2,2-Dimethyl-1-oxobutoxy)-3,4,4a,5,6,7-hexahydro-6-methyl-5-[2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl]-2-naphthalenecarboxylic Acid);[4S-[4a,4a,5(2S*,4S*),6]]-4(2,2-Dimethyl-1-oxobutoxy)-3,4,4a,5,6,7-hexahydro-6-methyl-5-[2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl]-2-naphthalenecarboxylic Acid;6-Carboxy -5',4',5,6-SiMvastatin;[4S-[4a,4ab,5b(2S*,4S*),6b]]-4(2,2-Dimethyl-1-oxobutoxy)-3,4,4a,5,6,7-hexahydro-6-methyl-5-[2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl]-2-naphthalenecarboxylic Acid
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CAS No:
6Carboxy Simvastatin Use and Manufacturing
An intermediate used in the preparation of HMG-CoA reductase inhibitors.
Computed Properties
Molecular Weight:448.5
XLogP3:3.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:8
Exact Mass:448.24610348
Monoisotopic Mass:448.24610348
Topological Polar Surface Area:110
Heavy Atom Count:32
Complexity:809
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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6'-Carboxy SiMvastatin
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Dehydro Simvastatin Formula
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4-tert-Butyldimethylsilyl-4a’-hydroxy Simvastatin Formula
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3,5-Bis(tert-butyldimethylsilyl) Simvastatin Hydroxy Acid Formula
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5'-Chloro-6'-oxo SiMvastatin Structure
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2’’-Desethyl-2’’-vinyl Simvastatin Structure
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