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Home > Encyclopedia > 2-[[4-Cyano-3-(trifluoromethyl)phenyl]amino]-1-[[(4-fluorophenyl)sulfonyl]methyl]-1-methyl-2-oxoethyl β-D-glucopyranosiduronic acid

2-[[4-Cyano-3-(trifluoromethyl)phenyl]amino]-1-[[(4-fluorophenyl)sulfonyl]methyl]-1-methyl-2-oxoethyl β-D-glucopyranosiduronic acid

2-[[4-Cyano-3-(trifluoromethyl)phenyl]amino]-1-[[(4-fluorophenyl)sulfonyl]methyl]-1-methyl-2-oxoethyl β-D-glucopyranosiduronic acid structure

2-[[4-Cyano-3-(trifluoromethyl)phenyl]amino]-1-[[(4-fluorophenyl)sulfonyl]methyl]-1-methyl-2-oxoethyl β-D-glucopyranosiduronic acid 

structure
  • CAS No:

    151262-59-8

  • Formula:

    C24H22F4N2O10S

  • Chemical Name:

    2-[[4-Cyano-3-(trifluoromethyl)phenyl]amino]-1-[[(4-fluorophenyl)sulfonyl]methyl]-1-methyl-2-oxoethyl β-D-glucopyranosiduronic acid

  • 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

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

Characteristics

212

2.52638

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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