Raloxifene 4′-glucuronide
CAS Registry Number®
182507-22-8
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CAS Name
Raloxifene 4′-glucuronideMolecular Formula
C34H35NO10SMolecular Mass
649.71Cite this Page
Raloxifene 4′-glucuronide. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=182507-22-8 (retrieved ) (CAS RN: 182507-22-8). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C34H35NO10S/c36-21-8-13-24-25(18-21)46-32(20-6-11-23(12-7-20)44-34-30(40)28(38)29(39)31(45-34)33(41)42)26(24)27(37)19-4-9-22(10-5-19)43-17-16-35-14-2-1-3-15-35/h4-13,18,28-31,34,36,38-40H,1-3,14-17H2,(H,41,42)/t28-,29-,30+,31-,34+/m0/s1
InChIKey
InChIKey=VHXYPEXOSLGZKH-WKRHDJAJSA-N
SMILES
C(=O)(C1=C(SC=2C1=CC=C(O)C2)C3=CC=C(O[C@@H]4O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]4O)C=C3)C5=CC=C(OCCN6CCCCC6)C=C5
Canonical SMILES
O=C(O)C1OC(OC=2C=CC(=CC2)C=3SC4=CC(O)=CC=C4C3C(=O)C5=CC=C(OCCN6CCCCC6)C=C5)C(O)C(O)C1O
Other Names for this Substance
- β-D-Glucopyranosiduronic acid, 4-[6-hydroxy-3-[4-[2-(1-piperidinyl)ethoxy]benzoyl]benzo[b]thien-2-yl]phenyl
- 4-[6-Hydroxy-3-[4-[2-(1-piperidinyl)ethoxy]benzoyl]benzo[b]thien-2-yl]phenyl β-D-glucopyranosiduronic acid
- Raloxifene 4′-glucuronide
