2-[[4-Cyano-3-(trifluoromethyl)phenyl]amino]-1-[[(4-fluorophenyl)sulfonyl]methyl]-1-methyl-2-oxoethyl β-D-glucopyranosiduronic acid
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2-[[4-Cyano-3-(trifluoromethyl)phenyl]amino]-1-[[(4-fluorophenyl)sulfonyl]methyl]-1-methyl-2-oxoethyl β-D-glucopyranosiduronic acid
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CAS No:
151262-59-8
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Formula:
C24H22F4N2O10S
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Chemical Name:
2-[[4-Cyano-3-(trifluoromethyl)phenyl]amino]-1-[[(4-fluorophenyl)sulfonyl]methyl]-1-methyl-2-oxoethyl β-D-glucopyranosiduronic acid
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Synonyms:
β-D-Glucopyranosiduronic acid,2-[[4-cyano-3-(trifluoromethyl)phenyl]amino]-1-[[(4-fluorophenyl)sulfonyl]methyl]-1-methyl-2-oxoethyl;2-[[4-Cyano-3-(trifluoromethyl)phenyl]amino]-1-[[(4-fluorophenyl)sulfonyl]methyl]-1-methyl-2-oxoethyl β-D-glucopyranosiduronic acid;152270-22-9
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CAS No:
2-[[4-Cyano-3-(trifluoromethyl)phenyl]amino]-1-[[(4-fluorophenyl)sulfonyl]methyl]-1-methyl-2-oxoethyl β-D-glucopyranosiduronic acid Basic Attributes
606.4974928
606.50
DTXSID00747145
2-[[4-Cyano-3-(trifluoromethyl)phenyl]amino]-1-[[(4-fluorophenyl)sulfonyl]methyl]-1-methyl-2-oxoethyl β-D-glucopyranosiduronic acid Use and Manufacturing
A metabolite of the non-steroidal peripherally active antiandrogen Bicalutamide (B382000).
Computed Properties
Molecular Weight:610.5
XLogP3:1
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:15
Rotatable Bond Count:8
Exact Mass:610.11823571
Monoisotopic Mass:610.11823571
Topological Polar Surface Area:212
Heavy Atom Count:41
Complexity:1120
Isotope Atom Count:4
Defined Atom Stereocenter Count:5
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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2-[[4-Cyano-3-(trifluoromethyl)phenyl]amino]-1-[[(4-fluorophenyl)sulfonyl]methyl]-1-methyl-2-oxoethyl β-D-glucopyranosiduronic acid
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