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Raloxifene-[d4] 6-Glucuronide

General Information
Catalog: BLP-005978
Molecular Formula: C34H31D4NO10S
Molecular Weight: 653.73
Chemical Structure
Raloxifene-[d4] 6-Glucuronide
Description Raloxifene-[d4] 6-Glucuronide is a labelled metabolite of Raloxifene, which is a non-steroidal estrogen receptor mixed antagonist/agonist.
Synonyms (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{[2-(4-hydroxyphenyl)-3-{4-[2-(piperidin-1-yl)(D4)ethoxy]benzoyl}-1-benzothiophen-6-yl]oxy}oxane-2-carboxylic acid; 2-(4-Hydroxyphenyl)-3-[4-[2-(1-piperidinyl)ethoxy-d4-benzoyl]benzo[b]thien-6-yl]-β-D-glucopyranosiduronic Acid
IUPAC Name (3S,4S,5S,6S)-3,4,5-trihydroxy-6-[[2-(4-hydroxyphenyl)-3-[4-(1,1,2,2-tetradeuterio-2-piperidin-1-ylethoxy)benzoyl]-1-benzothiophen-6-yl]oxy]oxane-2-carboxylic acid
Related CAS 174264-50-7 (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)O
InChI InChI=1S/C34H35NO10S/c36-21-8-4-20(5-9-21)32-26(27(37)19-6-10-22(11-7-19)43-17-16-35-14-2-1-3-15-35)24-13-12-23(18-25(24)46-32)44-34-30(40)28(38)29(39)31(45-34)33(41)42/h4-13,18,28-31,34,36,38-40H,1-3,14-17H2,(H,41,42)/t28-,29-,30-,31?,34+/m0/s1/i16D2,17D2
InChI Key MZPMSLSINDGEPM-YLCXKQQRSA-N
Melting Point 210-215°C (lit.)(dec.)
Purity 95% by HPLC; 98% atom D
Solubility Soluble in DMF, DMSO and Hot Methanol
Appearance Yellow Powder
Storage Store at-20°C Freezer, Under Inert Atmosphere

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