Metabolite Tamoxifen Metabolite Y
- Name
- Tamoxifen Metabolite Y
- Description
- Not Available
- Structure
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 344.454
Monoisotopic: 344.177630013 - Chemical Formula
- C24H24O2
- InChI Key
- TWASUFZMILCYJY-VHXPQNKSSA-N
- InChI
- InChI=1S/C24H24O2/c1-2-23(19-9-5-3-6-10-19)24(20-11-7-4-8-12-20)21-13-15-22(16-14-21)26-18-17-25/h3-16,25H,2,17-18H2,1H3/b24-23-
- IUPAC Name
- 2-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenoxy}ethan-1-ol
- SMILES
- CC\C(=C(/C1=CC=CC=C1)C1=CC=C(OCCO)C=C1)C1=CC=CC=C1
- Reactions
- Tamoxifen N-Desmethyltamoxifen
- N-Desmethyltamoxifen N-desmethyltamoxifen Sulfate
- N-Desmethyltamoxifen Endoxifen (4-hydroxy-N-desmethyltamoxifen)
- Endoxifen (4-hydroxy-N-desmethyltamoxifen) Tamoxifen Glucuronides
- Endoxifen (4-hydroxy-N-desmethyltamoxifen) 4-endoxifen Sulfate
- Endoxifen (4-hydroxy-N-desmethyltamoxifen) 4-hydroxytamoxifen sulfate
- Endoxifen (4-hydroxy-N-desmethyltamoxifen) Norendoxifen (4-hydroxy-N,N-didesmethyltamoxifen)
- N-Desmethyltamoxifen N,N-didesmethyltamoxifen
- N,N-didesmethyltamoxifen Tamoxifen Metabolite Y
- Tamoxifen Metabolite Y Tamoxifen Metabolite E
- Tamoxifen Metabolite E Tamoxifen Metabolite E Glucuronide
- Tamoxifen Metabolite E Tamoxifen Metabolite E Sulfate Conjugate
- Tamoxifen Metabolite Y Tamoxifen Metabolite E
- N,N-didesmethyltamoxifen Tamoxifen Metabolite Y
- Tamoxifen N-Desmethyltamoxifen
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 187.27519 predictedDeepCCS 1.0 (2019) [M+H]+ 189.97166 predictedDeepCCS 1.0 (2019) [M+Na]+ 197.19072 predictedDeepCCS 1.0 (2019) - External Links
- ChemSpider
- 2298472
- ChEMBL
- CHEMBL46128
- ZINC
- ZINC000001849473
- Predicted Properties
Property Value Source Water Solubility 0.0012 mg/mL ALOGPS logP 5.53 ALOGPS logP 5.64 Chemaxon logS -5.5 ALOGPS pKa (Strongest Acidic) 15.1 Chemaxon pKa (Strongest Basic) -2.8 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 29.46 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 116.7 m3·mol-1 Chemaxon Polarizability 39.75 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule Yes Chemaxon