Entacapone 3-b-D-Glucuronide
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Entacapone 3-b-D-Glucuronide
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CAS No:
158069-75-1
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Formula:
C20H23N3O11
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Chemical Name:
Entacapone 3-b-D-Glucuronide
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Synonyms:
5-[(1E)-2-Cyano-3-(diethylamino)-3-oxo-1-propenyl]-2-hydroxy-3-nitrophenyl b-D-Glucopyranosiduronic Aci;Entacapone 3-b-D-Glucuronide;5-[(1E)-2-Cyano-3-(diethylamino)-3-oxo-1-propenyl]-2-hydroxy-3-nitrophenyl -D-Glucopyranosiduronic Acid;Entacapone 3--D-Glucuronide;Entacapone-3-beta-D-Glucuronide;Entacapone Glucuronide
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CAS No:
Computed Properties
Molecular Weight:481.4
XLogP3:0.6
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:7
Exact Mass:481.13325856
Monoisotopic Mass:481.13325856
Topological Polar Surface Area:227
Heavy Atom Count:34
Complexity:846
Defined Atom Stereocenter Count:5
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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