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Chemical structure of 7-[4-(2-Piperidinyl)ethoxy]benzoyl Raloxifene

GC66022

7-[4-(2-Piperidinyl)ethoxy]benzoyl Raloxifene

Also known as [6-hydroxy-2-(4-hydroxyphenyl)-7-[4-(2-piperidin-1-ylethoxy)benzoyl]-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone

7-[4-(2-Piperidinyl)ethoxy]benzoyl Raloxifene is a liver receptor homolog-1 (LRH-1) antagonist with an IC50 of 3·1 μM

ChemicalCAS1159977-58-8MW704.87FormulaC42H44N2O6S
CAS number
1159977-58-8
Molecular weight
704.87
Formula
C42H44N2O6S
InChIKey
ZIQUILNLPRCFRB-UHFFFAOYSA-N
Catalogue number
GC66022
Brand
GLPBIO
Computed properties PubChem CID 18410283 · XLogP 8.8 · TPSA 128 Ų · H-bond donors 2
XLogP
8.8
TPSA
128 Ų
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
13
Heavy atoms
51

SMILES C1CCN(CC1)CCOC2=CC=C(C=C2)C(=O)C3=C(SC4=C3C=CC(=C4C(=O)C5=CC=C(C=C5)OCCN6CCCCC6)O)C7=CC=C(C=C7)O

Computed descriptors from PubChem (CID 18410283), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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