Raloxifen
[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-[4-(piperidin-1-ylmethoxy)phenyl]methanone
Molecular Identity
Raloxifen
[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-[4-(piperidin-1-ylmethoxy)phenyl]methanone
PubChem CID: 46882308
2D Structure
Properties
C27H25NO4S
Molecular Formula
459.60
Molecular Weight
g/mol
459.1504
Exact Mass
Da
6.2
XLogP
Above Lipinski threshold
98.2
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
6
H-Bond Acceptors
640
Complexity
SMILES
Canonical SMILES
SMILES: C1CCN(CC1)COC2=CC=C(C=C2)C(=O)C3=C(SC4=C3C=CC(=C4)O)C5=CC=C(C=C5)OIsomeric SMILES
SMILES: C1CCN(CC1)COC2=CC=C(C=C2)C(=O)C3=C(SC4=C3C=CC(=C4)O)C5=CC=C(C=C5)OSynonyms(5)
RaloxifenRefChem:1097955CHEMBL1079109SCHEMBL29372040AUYLVPGDOVEOML-UHFFFAOYSA-N
Data from PubChem (NCBI)
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Trials and conditions connected to Raloxifen
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