Raloxifene 4,6 Glucuronide

Product Name Raloxifene 4,6 Glucuronide
Alternate Names Raloxifene Glucuronides, Glucuronides of Raloxifene
CAT No. CS-O-05683
CAS No. 182507-20-6
Category Glucuronides
Stock IN-Stock
Mol. Wt. 825.83 g/mol
Mol. For. C40H43NO16S
Hazardous This is not a Hazardous Compound
COA View Sample COA
MSDS View Sample MSDS
Parent API Raloxifene
Therapeutic Anti-Cancer / Oncology
Smileys O=C(C1=CC=C(OCCN2CCCCC2)C=C1)C3=C(C4=CC=C(O[C@@H]([C@@H]([C@@H](O)[C@@H]5O)O)O[C@@H]5C(O)=O)C=C4)SC6=C3C=CC(O[C@@H]([C@@H]([C@@H](O)[C@@H]7O)O)O[C@@H]7C(O)=O)=C6
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
InchIKey PCIAOPAUTIPRHI-BPLPKISHSA-N
Inchl 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
IUPAC (3R,4R,5R,6R)-6-[4-[6-[(2S,3S,4S,5S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-3-[4-(2-piperidin-1-ylethoxy)benzoyl]-1-benzothiophen-2-yl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Controlled No
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Related Compounds

Raloxifene 4'-Glucuronide |

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