Raloxifene-d4 6,4’-Bis-β-D-glucuronide

CAS : 182507-20-6

Ref. TR-R100007

Informations sur le produit

• Nom: Raloxifene-d4 6,4’-Bis-β-D-glucuronide
• Synonymes: 2-[4-(ß-D-Glucopyranuronosyloxy)phenyl]-3-[4-[2-(1-piperidinyl)ethoxy-d4]benzoyl]benzo[b]thien-6-yl ß-D-Glucopyranosiduronic Acid, 2-[4-(b-D-glucopyranuronosyloxy)phenyl]-3-[4-[2-(1-piperidinyl)ethoxy]benzoyl]benzo[b]thien-6-yl b-D-Glucopyranosiduronic Aci, 2-[4-(-D-glucopyranuronosyloxy)phenyl]-3-[4-[2-(1-piperidinyl)ethoxy]benzoyl]benzo[b]thien-6-yl -D-Glucopyranosiduronic Acid, Raloxifene 6,4’-Bis--D-glucuronide

Description

Applications A labelled metabolite of Raloxifene.
References Nakagawa, M., et al.: Antibiotics, 38, 1622 (1985), Chen, T., et al.: J. Antibiot., 46, 131 (1993), Dodge, J., et al.: Bioorg. Med. Chem. Lett., 7, 993 (1997), Marcus, R., et al.: Endocrine, 6, 207 (1997),

• Marque: TRC

Propriétés chimiques

• Masse moléculaire: 829.86
• Formule: C₄₀H₃₉D₄NO₁₆S
• Couleur/Forme: Neat
• 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
• Code InChI: InChIKey=PCIAOPAUTIPRHI-ARSUUKMYSA-N
• SMILES: [2H]C([2H])(Oc1ccc(C(=O)c2c(-c3ccc(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)cc3)sc3cc(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)ccc23)cc1)C([2H])([2H])N1CCCCC1