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Tipranavir-β-D-Glucuronide-[d4]

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General Information
Catalog: BLP-007461
Molecular Formula: C37H37D4F3N2O11S
Molecular Weight: 782.81

Chemical Structure

Description	Tipranavir-β-D-Glucuronide-[d4] is a labelled metabolite of Tipranavir.
Synonyms	(2R)-3,6-Dihydro-6-oxo-2-(2-phenylethyl)-2-propyl-5-[(1R)-1-[3-[[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]amino]phenyl]propyl]-2H-pyran-4-yl-d4 β-D-Glucopyranosiduronic Acid; Tipranavir-d4 Glucuronide
IUPAC Name	(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(2R)-6-oxo-2-(2-phenylethyl)-2-(1,1,2,2-tetradeuteriopropyl)-5-[(1R)-1-[3-[[5-(trifluoromethyl)pyridin-2-yl]sulfonylamino]phenyl]propyl]-3H-pyran-4-yl]oxy]oxane-2-carboxylic acid
Related CAS	947408-14-2 (unlabelled)
Canonical SMILES	CCCC1(CC(=C(C(=O)O1)C(CC)C2=CC(=CC=C2)NS(=O)(=O)C3=NC=C(C=C3)C(F)(F)F)OC4C(C(C(C(O4)C(=O)O)O)O)O)CCC5=CC=CC=C5
InChI	InChI=1S/C37H41F3N2O11S/c1-3-16-36(17-15-21-9-6-5-7-10-21)19-26(51-35-31(45)29(43)30(44)32(52-35)33(46)47)28(34(48)53-36)25(4-2)22-11-8-12-24(18-22)42-54(49,50)27-14-13-23(20-41-27)37(38,39)40/h5-14,18,20,25,29-32,35,42-45H,3-4,15-17,19H2,1-2H3,(H,46,47)/t25-,29+,30+,31-,32+,35-,36-/m1/s1/i3D2,16D2
InChI Key	ODSCYUCOVFARRF-UBGHSNJQSA-N
Purity	>98%
Storage	Store at -20°C