CLOMIPHENE CITRATE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII 1B8447E7YI
EPA CompTox DTXSID8020337
Parent Compound: CLOMIPHENE

Structure

InChI Key PYTMYKVIJXPNBD-UHFFFAOYSA-N
Smiles CCN(CC)CCOc1ccc(C(=C(Cl)c2ccccc2)c2ccccc2)cc1.O=C(O)CC(O)(CC(=O)O)C(=O)O
InChI
InChI=1S/C26H28ClNO.C6H8O7/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;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-18H,3-4,19-20H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

Physicochemical Descriptors

Property Name Value
Molecular Formula C32H36ClNO8
Molecular Weight 598.09
AlogP 6.56
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 9.0
Polar Surface Area 12.47
Molecular species BASE
Aromatic Rings 3.0
Heavy Atoms 29.0

Pharmacology

Mechanism of Action Action Reference
Estrogen receptor alpha modulator MODULATOR Wikipedia FDA

Target Conservation

Protein: Estrogen receptor alpha
Description: Estrogen receptor
Organism : Homo sapiens
P03372 ENSG00000091831

Cross References

Resources Reference
ChEBI 3753
ChEMBL CHEMBL3185958
FDA SRS 1B8447E7YI
ZINC ZINC01530601
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