Tamoxifen citrateProduct ingredient for Tamoxifen
- Name
- Tamoxifen citrate
- Drug Entry
- Tamoxifen
Tamoxifen is a non-steroidal antiestrogen used to treat estrogen receptor positive breast cancers as well as prevent the incidence of breast cancer in high risk populations.1,15,16 Tamoxifen is used alone or as an adjuvant in these treatments.15,16 Tamoxifen may no longer be the preferred treatment for these types of cancers as patients generally have better survival, side effect profiles, and compliance with anastrozole.2
Tamoxifen was granted FDA approval on 30 December 1977.15
- Accession Number
- DBSALT000168
- Structure
Structure for Tamoxifen citrate (DBSALT000168)
- Synonyms
- (Z)-2-(p-(1,2-Diphenyl-1-butenyl)phenoxy)-N,N-dimethylethylamine citrate (1:1) / Tamoxifen citrate / trans-1-(p-beta-Dimethylaminoethoxyphenyl)-1,2-diphenylbut-1-ene citrate
- External IDs
- ICI 46,474 / ICI 46474
- UNII
- 7FRV7310N6
- CAS Number
- 54965-24-1
- Weight
- Average: 563.6381
Monoisotopic: 563.251917165 - Chemical Formula
- C32H37NO8
- InChI Key
- FQZYTYWMLGAPFJ-OQKDUQJOSA-N
- InChI
- InChI=1S/C26H29NO.C6H8O7/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;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-18H,4,19-20H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/b26-25-;
- IUPAC Name
- trihydrogen (2-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenoxy}ethyl)dimethylamine 2-hydroxypropane-1,2,3-tricarboxylate
- SMILES
- [H+].[H+].[H+].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O.CC\C(=C(/C1=CC=CC=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1
- External Links
- Predicted Properties
Property Value Source Water Solubility 0.00102 mg/mL ALOGPS logP 5.93 ALOGPS logP 6.35 Chemaxon logS -5.6 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 13 Chemaxon Refractivity 128.43 m3·mol-1 Chemaxon Polarizability 44.23 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