Toremifene citrateProduct ingredient for Toremifene
- Name
- Toremifene citrate
- Drug Entry
- Toremifene
Toremifene is a selective estrogen receptor modulator (SERM) and a nonsteroidal antiestrogen used to treat estrogen receptor positive breast cancer.6 Like tamoxifen, toremifene is part of the first-generation triphenylethylene derivative chemical class of SERMs.7
Toremifene possesses tissue-specific actions: it has estrogenic (agonist) activity on the cardiovascular system and on bone tissue and it has weak estrogenic effects on uterine tissue, however, it also has antiestrogenic (estrogen-antagonist) activity on breast tissue.6
- Accession Number
- DBSALT001447
- Structure
- Synonyms
- Not Available
- UNII
- 2498Y783QT
- CAS Number
- 89778-27-8
- Weight
- Average: 598.09
Monoisotopic: 597.2129448 - Chemical Formula
- C32H36ClNO8
- InChI Key
- IWEQQRMGNVVKQW-OQKDUQJOSA-N
- 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-;
- IUPAC Name
- (2-{4-[(1Z)-4-chloro-1,2-diphenylbut-1-en-1-yl]phenoxy}ethyl)dimethylamine; 2-hydroxypropane-1,2,3-tricarboxylic acid
- SMILES
- OC(=O)CC(O)(CC(O)=O)C(O)=O.CN(C)CCOC1=CC=C(C=C1)C(=C(\CCCl)C1=CC=CC=C1)\C1=CC=CC=C1
- External Links
- ChemSpider
- 2275721
- ChEBI
- 9636
- ChEMBL
- CHEMBL1200675
- Wikipedia
- Toremifene
- Predicted Properties
Property Value Source Water Solubility 0.000409 mg/mL ALOGPS logP 5.65 ALOGPS logP 6.27 Chemaxon logS -6 ALOGPS pKa (Strongest Basic) 8.76 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 12.47 Å2 Chemaxon Rotatable Bond Count 14 Chemaxon Refractivity 133.41 m3·mol-1 Chemaxon Polarizability 46.48 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon