
IUPAC name
2-(4-hydroxyphenyl)-3-{4-[2-(piperidin-1-yl)ethoxy]benzoyl}-1-benzothiophen-6-ol
SMILES
OC1=CC=C(C=C1)C1=C(C(=O)C2=CC=C(OCCN3CCCCC3)C=C2)C2=C(S1)C=C(O)C=C2
Compound class
Bone Density Conservation Agents; Estrogen Antagonists; Selective Estrogen Receptor Modulators; Antihypocalcemic Agents; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2B6 Inhibitors; CYP2B6 Inhibitors (strong); CYP3A4 Inhibitors;
Therapeutic area
For the prevention and treatment of osteoporosis in post-menopausal women, as well as prevention and treatment of corticosteroid-induced bone loss. Also for the reduction in the incidence of invasive breast cancer in postmenopausal women with osteoporosis or have a high risk for developing breast cancer.
Common name
Raloxifene
IUPAC name
2-(4-hydroxyphenyl)-3-{4-[2-(piperidin-1-yl)ethoxy]benzoyl}-1-benzothiophen-6-ol
SMILES
OC1=CC=C(C=C1)C1=C(C(=O)C2=CC=C(OCCN3CCCCC3)C=C2)C2=C(S1)C=C(O)C=C2
INCHI
InChI=1S/C28H27NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2
FORMULA
C28H27NO4S

Common name
Raloxifene
IUPAC name
2-(4-hydroxyphenyl)-3-{4-[2-(piperidin-1-yl)ethoxy]benzoyl}-1-benzothiophen-6-ol
Molecular weight
473.583
clogP
6.517
clogS
-6.635
HBond Acceptor
5
HBond Donor
2
Total Polar Surface Area
98.24
Number of Rings
5
Rotatable Bond
7
Drug ID | Common name | Structure CAS | SMILE | Frequency |
---|---|---|---|---|
FDBF00005 | benzene |
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c1ccccc1 | 0.2824 |
FDBF00041 | ethanol |
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CCO | 0.1474 |
FDBF00211 | anisole |
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COc1ccccc1 | 0.0423 |
FDBF00670 | piperidine |
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N1CCCCC1 | 0.0199 |
FDBF00671 | 1-ethylpiperidine |
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N1(CCCCC1)CC | 0.0106 |
FDBF01007 | benzaldehyde |
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c1(ccccc1)C=O | 0.0086 |
FDBF01049 | 4-hydroxybenzaldehyde |
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c1(ccc(cc1)C=O)O | 0.0014 |
FDBF01050 | 4-methoxybenzaldehyde |
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COc1ccc(cc1)C=O | 0.0014 |
FDBF01051 | 2-(1-piperidyl)ethanol |
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C(CN1CCCCC1)O | 0.0010 |
FDBF01052 | 4-ethoxybenzaldehyde |
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C(C)Oc1ccc(cc1)C=O | 0.0010 |