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Raloxifene 6,4'-Bis-β-D-glucuronide-[d4]

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General Information
Catalog: BLP-007915
Molecular Formula: C40H39D4NO16S
Molecular Weight: 829.86

Chemical Structure

Description	Raloxifene 6,4'-Bis-β-D-glucuronide-[d4] is the labelled analogue of Raloxifene 6,4'-Bis-β-D-glucuronide, which is a metabolite of Raloxifene.
Synonyms	Raloxifene-d4 6,4'-Bis-β-D-glucuronide; 2-[4-(β-D-Glucopyranuronosyloxy)phenyl]-3-[4-[2-(1-piperidinyl)ethoxy-d4]benzoyl]benzo[b]thien-6-yl β-D-Glucopyranosiduronic Acid
IUPAC Name	(2R,3R,4R,5S,6R)-6-[4-[6-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-3-[4-(1,1,2,2-tetradeuterio-2-piperidin-1-ylethoxy)benzoyl]-1-benzothiophen-2-yl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Related CAS	182507-20-6 (unlabelled)
Canonical SMILES	C1CCN(CC1)CCOC2=CC=C(C=C2)C(=O)C3=C(SC4=C3C=CC(=C4)OC5C(C(C(C(O5)C(=O)O)O)O)O)C6=CC=C(C=C6)OC7C(C(C(C(O7)C(=O)O)O)O)O
InChI	InChI=1S/C40H43NO16S/c42-27(19-4-8-21(9-5-19)53-17-16-41-14-2-1-3-15-41)26-24-13-12-23(55-40-33(48)29(44)31(46)35(57-40)38(51)52)18-25(24)58-36(26)20-6-10-22(11-7-20)54-39-32(47)28(43)30(45)34(56-39)37(49)50/h4-13,18,28-35,39-40,43-48H,1-3,14-17H2,(H,49,50)(H,51,52)/t28-,29+,30-,31+,32+,33-,34-,35+,39+,40-/m1/s1/i16D2,17D2
InChI Key	PCIAOPAUTIPRHI-YDFUEHSUSA-N
Melting Point	>195°C (dec.)
Purity	≥99%
Solubility	Soluble in DMSO, Water
Appearance	Pale Yellow Solid
Storage	Store at -20°C under inert atmosphere