TOREMIFENE CITRATE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII 2498Y783QT
EPA CompTox DTXSID2021367
Parent Compound: TOREMIFENE

Structure

InChI Key IWEQQRMGNVVKQW-OQKDUQJOSA-N
Smiles CN(C)CCOc1ccc(/C(=C(/CCCl)c2ccccc2)c2ccccc2)cc1.O=C(O)CC(O)(CC(=O)O)C(=O)O
InChI
InChI=1S/C26H28ClNO.C6H8O7/c1-28(2)19-20-29-24-15-13-23(14-16-24)26(22-11-7-4-8-12-22)25(17-18-27)21-9-5-3-6-10-21;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-16H,17-20H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/b26-25-;

Physicochemical Descriptors

Property Name Value
Molecular Formula C32H36ClNO8
Molecular Weight 598.09
AlogP 6.22
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 modulator MODULATOR DailyMed

Target Conservation

Protein: Estrogen receptor
Description: Estrogen receptor
Organism : Homo sapiens
P03372 ENSG00000091831
Protein: Estrogen receptor
Description: Estrogen receptor beta
Organism : Homo sapiens
Q92731 ENSG00000140009

Cross References

Resources Reference
ChEBI 9636
ChEMBL CHEMBL1200675
FDA SRS 2498Y783QT
KEGG C08166
PubChem 3005572
SureChEMBL SCHEMBL4564
ZINC ZINC12404516
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