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Home > Encyclopedia > 1-Deoxy-1-[[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]amino]-β-D-glucopyranuronic acid

1-Deoxy-1-[[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]amino]-β-D-glucopyranuronic acid

1-Deoxy-1-[[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]amino]-β-D-glucopyranuronic acid structure

1-Deoxy-1-[[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]amino]-β-D-glucopyranuronic acid 

structure
  • CAS No:

    96735-72-7

  • Formula:

    C22H24F3NO7

  • Chemical Name:

    1-Deoxy-1-[[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]amino]-β-D-glucopyranuronic acid

  • Synonyms:

    β-D-Glucopyranuronic acid,1-deoxy-1-[[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]amino]-;1-Deoxy-1-[[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]amino]-β-D-glucopyranuronic acid

1-Deoxy-1-[[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]amino]-β-D-glucopyranuronic acid Basic Attributes

471.42

471.42

DTXSID70858217

Characteristics

128.48000

2.08830

1.47±0.1 g/cm3

680.1±55.0 °C(Predicted)

2.65±0.70

1-Deoxy-1-[[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]amino]-β-D-glucopyranuronic acid Use and Manufacturing

A glucuronide of Norfluoxetine (N681100) metabolite in humans.

Computed Properties

Molecular Weight:471.4
XLogP3:0.1
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:8
Exact Mass:471.15048659
Monoisotopic Mass:471.15048659
Topological Polar Surface Area:129
Heavy Atom Count:33
Complexity:624
Defined Atom Stereocenter Count:5
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of 1-Deoxy-1-[[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]amino]-β-D-glucopyranuronic acid

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