1-Deoxy-1-[[2-[(ethoxycarbonyl)aMino]-5-[[(4-fluorophenyl)Methyl]aMino]phenyl]aMino] β-D-Glucopyranuronic Acid
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![1-Deoxy-1-[[2-[(ethoxycarbonyl)aMino]-5-[[(4-fluorophenyl)Methyl]aMino]phenyl]aMino] β-D-Glucopyranuronic Acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/fe47f5528916423c847402ee5b9cabdb.png "1-Deoxy-1-[[2-[(ethoxycarbonyl)aMino]-5-[[(4-fluorophenyl)Methyl]aMino]phenyl]aMino] β-D-Glucopyranuronic Acid")
1-Deoxy-1-[[2-[(ethoxycarbonyl)aMino]-5-[[(4-fluorophenyl)Methyl]aMino]phenyl]aMino] β-D-Glucopyranuronic Acid
structure -
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CAS No:
191873-41-3
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Formula:
C22H26FN3O8
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Chemical Name:
1-Deoxy-1-[[2-[(ethoxycarbonyl)aMino]-5-[[(4-fluorophenyl)Methyl]aMino]phenyl]aMino] β-D-Glucopyranuronic Acid
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Synonyms:
1-Deoxy-1-[[2-[(ethoxycarbonyl)aMino]-5-[[(4-fluorophenyl)Methyl]aMino]phenyl]aMino] β-D-Glucopyranuronic Acid;Retigabine N-β-D-Glucuronide;Retigabine N-β-D-Glucuronide SodiuM Salt
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CAS No:
1-Deoxy-1-[[2-[(ethoxycarbonyl)aMino]-5-[[(4-fluorophenyl)Methyl]aMino]phenyl]aMino] β-D-Glucopyranuronic Acid Basic Attributes
479.4555432
479.17
DTXSID20858368
1-Deoxy-1-[[2-[(ethoxycarbonyl)aMino]-5-[[(4-fluorophenyl)Methyl]aMino]phenyl]aMino] β-D-Glucopyranuronic Acid Use and Manufacturing
Retigabine N-β-D-Glucuronide is the major metabolite of the antiepileptic drug Retigabine (R189050) that is produced via N-glucuronidation in humans.
Computed Properties
Molecular Weight:479.5
XLogP3:1.5
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:9
Exact Mass:479.17039296
Monoisotopic Mass:479.17039296
Topological Polar Surface Area:170
Heavy Atom Count:34
Complexity:681
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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1-Deoxy-1-[[2-[(ethoxycarbonyl)aMino]-5-[[(4-fluorophenyl)Methyl]aMino]phenyl]aMino] β-D-Glucopyranuronic Acid
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