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Darunavir N-β-D-Glucuronide

Darunavir N-β-D-Glucuronide structure

Darunavir N-β-D-Glucuronide 

structure
  • CAS No:

    1159613-25-8

  • Formula:

    C33H45N3O13S

  • Chemical Name:

    Darunavir N-β-D-Glucuronide

  • Synonyms:

    Darunavir N-β-D-Glucuronide;1-Deoxy-1-[[4-[[[(2R,3S)-3-[[[[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy]carbonyl]aMino]-2-hydroxy-4-phenylbutyl](2-Methylpropyl)aMino]sulfonyl]phenyl]aMino]-β-D-glucopyranuronic Acid;Darunavir-N-Glucuronide;Darunavir N-β-D-Glucuronide (90%)

Description

Pale Beige Solid

Darunavir N-β-D-Glucuronide Basic Attributes

723.7877

723.267

KU641CZY53

DTXSID90747417

Characteristics

242

1.7

1.49±0.1 g/cm3(Predicted)

Darunavir N-β-D-Glucuronide Use and Manufacturing

A metabolite of Darunavir (D193500); an inhibitor of human immunodeficiency virus protease.

Computed Properties

Molecular Weight:723.8
XLogP3:1.7
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:15
Rotatable Bond Count:15
Exact Mass:723.26730967
Monoisotopic Mass:723.26730967
Topological Polar Surface Area:242
Heavy Atom Count:50
Complexity:1220
Defined Atom Stereocenter Count:10
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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