
IUPAC name
(2-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenoxy}ethyl)dimethylamine
SMILES
CC\C(=C(/C1=CC=CC=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1
Compound class
Antineoplastic Agents, Hormonal; Bone Density Conservation Agents; Estrogen Antagonists; Selective Estrogen Receptor Modulators; Antineoplastic and Immunomodulating Agents; Endocrine Therapy; Hormone Antagonists and Related Agents; Anti-Estrogens; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2B6 Inhibitors; CYP2A6 Inhibitors; CYP2A6 Inhibitors (strong); CYP2A6 Inhibitors (moderate); CYP2A6 Inducers; CYP2A6 Inducers (strong); CYP2B6 Inhibitors (strong); CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); CYP3A4 Inhibitors; BSEP/ABCB11 Inhibitors; Combined Inducers of CYP3A4 and P-glycoprotein; Combined Inhibitors of CYP3A4 and P-glycoprotein;
Therapeutic area
Tamoxifen is indicated for the treatment of metastatic breast cancer in women and men and ductal carcinoma in Situ.
Common name
Tamoxifen
IUPAC name
(2-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenoxy}ethyl)dimethylamine
SMILES
CC\C(=C(/C1=CC=CC=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1
INCHI
InChI=1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-25-
FORMULA
C26H29NO

Common name
Tamoxifen
IUPAC name
(2-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenoxy}ethyl)dimethylamine
Molecular weight
371.515
clogP
5.990
clogS
-6.800
HBond Acceptor
2
HBond Donor
0
Total Polar Surface Area
12.47
Number of Rings
3
Rotatable Bond
8
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 |
FDBF00064 | N,N-dimethylmethanamine |
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N(C)(C)C | 0.0371 |
FDBF00074 | but-1-ene |
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C(C)C=C | 0.0100 |
FDBF00289 | N,N-dimethylethanamine |
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C(C)N(C)C | 0.0299 |
FDBF00292 | 2-(dimethylamino)ethanol |
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CN(CCO)C | 0.0045 |
FDBF00538 | 4-vinylphenol |
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c1(ccc(cc1)O)C=C | 0.0017 |
FDBF01222 | 1-methoxy-4-vinyl-benzene |
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COc1ccc(cc1)C=C | 0.0014 |
FDBF01223 | 1-ethoxy-4-vinyl-benzene |
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C(C)Oc1ccc(cc1)C=C | 0.0010 |
FDBF01559 | 4-[(E)-but-1-enyl]phenol |
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C(C)C=Cc1ccc(cc1)O | 0.0003 |