IUPAC name
{2-[4-(2-chloro-1,2-diphenylethenyl)phenoxy]ethyl}diethylamine
SMILES
CCN(CC)CCOC1=CC=C(C=C1)C(=C(Cl)C1=CC=CC=C1)C1=CC=CC=C1
Compound class
Fertility Agents, Female; Estrogen Antagonists; Selective Estrogen Receptor Modulators; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Ovulation Stimulants, Synthetic; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; CYP2A6 Inhibitors; CYP2A6 Inhibitors (strong); CYP2A6 Inhibitors (moderate); CYP2A6 Inducers; CYP2A6 Inducers (strong); CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); CYP3A4 Inhibitors;
Therapeutic area
Used mainly in female infertility due to anovulation (e.g. due to polycystic ovary syndrome) to induce ovulation.
Common name
Clomifene
IUPAC name
{2-[4-(2-chloro-1,2-diphenylethenyl)phenoxy]ethyl}diethylamine
SMILES
CCN(CC)CCOC1=CC=C(C=C1)C(=C(Cl)C1=CC=CC=C1)C1=CC=CC=C1
INCHI
InChI=1S/C26H28ClNO/c1-3-28(4-2)19-20-29-24-17-15-22(16-18-24)25(21-11-7-5-8-12-21)26(27)23-13-9-6-10-14-23/h5-18H,3-4,19-20H2,1-2H3
FORMULA
C26H28ClNO
Common name
Clomifene
IUPAC name
{2-[4-(2-chloro-1,2-diphenylethenyl)phenoxy]ethyl}diethylamine
Molecular weight
405.960
clogP
6.501
clogS
-7.405
HBond Acceptor
2
HBond Donor
0
Total Polar Surface Area
12.47
Number of Rings
3
Rotatable Bond
9
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00005 | benzene |
|
c1ccccc1 | 0.2824 |
| FDBF00040 | ethanamine |
|
CCN | 0.0677 |
| FDBF00041 | ethanol |
|
CCO | 0.1474 |
| FDBF00239 | chloroethylene |
|
ClC=C | 0.0058 |
| FDBF00294 | N-ethyl-N-methyl-ethanamine |
|
C(C)N(CC)C | 0.0134 |
| FDBF00729 | 2-(ethylamino)ethanol |
|
N(CCO)CC | 0.0065 |
| FDBF01640 | 2-phenoxyethanamine |
|
C(CN)Oc1ccccc1 | 0.0014 |
| FDBF01977 | [(E)-2-chlorovinyl]benzene |
|
ClC=Cc1ccccc1 | 0.0003 |
| FDBF01980 | 1-[(Z)-2-chlorovinyl]-4-methoxy-benzene |
|
ClC=Cc1ccc(cc1)OC | 0.0003 |
