Molecular Identity
Raloxifene
[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone
PubChem CID: 5035
Raloxifene is a member of the class of 1-benzothiophenes that is 1-benzothiophene in which the hydrogens at positions 2, 3, and 6 have been replaced by p-hydroxyphenyl, p-[2-(piperidin-1-yl)ethoxy]benzoyl, and hydroxy groups, respectively. It has a role as a bone density conservation agent, an estrogen receptor modulator and an estrogen antagonist. It is a member of phenols, a member of 1-benzothiophenes, a N-oxyethylpiperidine and an aromatic ketone. It is a conjugate base of a raloxifene(1+).
2D Structure
Properties
C28H27NO4S
Molecular Formula
473.60
Molecular Weight
g/mol
473.1661
Exact Mass
Da
6.1
XLogP
Above Lipinski threshold
98.2
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
6
H-Bond Acceptors
655
Complexity
SMILES
Canonical SMILES
SMILES: C1CCN(CC1)CCOC2=CC=C(C=C2)C(=O)C3=C(SC4=C3C=CC(=C4)O)C5=CC=C(C=C5)OIsomeric SMILES
SMILES: C1CCN(CC1)CCOC2=CC=C(C=C2)C(=O)C3=C(SC4=C3C=CC(=C4)O)C5=CC=C(C=C5)OSynonyms(20)
raloxifene84449-90-1KeoxifeneRaloxifenoRaloxifenumRaloxifenum [Latin]RaloxipheneLY-139481EvidenRaxetoLY 139481DTXSID3023550NSC-747974YX9162EO3IJ22.982B
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Raloxifene
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