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Suberoylanilide Hydroxamic Acid β-D-Glucuronide-[d5]

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General Information
Catalog: BLP-008222
Molecular Formula: C20H23D5N2O9
Molecular Weight: 445.48

Chemical Structure

Description	Suberoylanilide Hydroxamic Acid β-D-Glucuronide-[d5] is the labelled analogue of Suberoylanilide Hydroxamic Acid β-D-Glucuronide, which is a metabolite of Vorinostat.
Synonyms	Suberoylanilide-d5 Hydroxamic Acid β-D-Glucuronide; 1-O-[[1,8-Dioxo-8-(phenyl-d5-amino)octyl]amino]-β-D-glucopyranuronic Acid; Vorinostat-d5 glucuronide
IUPAC Name	(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[8-oxo-8-(2,3,4,5,6-pentadeuterioanilino)octanoyl]amino]oxyoxane-2-carboxylic acid
Related CAS	863456-50-2 (unlabelled)
Canonical SMILES	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NOC2C(C(C(C(O2)C(=O)O)O)O)O
InChI	InChI=1S/C20H28N2O9/c23-13(21-12-8-4-3-5-9-12)10-6-1-2-7-11-14(24)22-31-20-17(27)15(25)16(26)18(30-20)19(28)29/h3-5,8-9,15-18,20,25-27H,1-2,6-7,10-11H2,(H,21,23)(H,22,24)(H,28,29)/t15-,16-,17+,18-,20-/m0/s1/i3D,4D,5D,8D,9D
InChI Key	AGXZHORDQQELAH-QLOQXHLUSA-N
Melting Point	170-174°C
Purity	≥98%
Solubility	Slightly soluble in Water
Appearance	White Solid
Storage	Store at -20°C under inert atmosphere