Metabolite α-hydroxytamoxifen
- Name
- α-hydroxytamoxifen
- Description
- Not Available
- Structure
Structure for α-hydroxytamoxifen
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 387.514
Monoisotopic: 387.219829177 - Chemical Formula
- C26H29NO2
- InChI Key
- BPHFBQJMFWCHGH-QPLCGJKRSA-N
- InChI
- InChI=1S/C26H29NO2/c1-20(28)25(21-10-6-4-7-11-21)26(22-12-8-5-9-13-22)23-14-16-24(17-15-23)29-19-18-27(2)3/h4-17,20,28H,18-19H2,1-3H3/b26-25-
- IUPAC Name
- (3E)-4-{4-[2-(dimethylamino)ethoxy]phenyl}-3,4-diphenylbut-3-en-2-ol
- SMILES
- CC(O)C(=C(/C1=CC=CC=C1)C1=CC=C(OCCN(C)C)C=C1)\C1=CC=CC=C1
- Reactions
- External Links
- Human Metabolome Database
- HMDB0060585
- KEGG Compound
- C16544
- ChemSpider
- 2300566
- ChEBI
- 80553
- ChEMBL
- CHEMBL1908109
- Predicted Properties
Property Value Source Water Solubility 0.00495 mg/mL ALOGPS logP 4.59 ALOGPS logP 5.04 Chemaxon logS -4.9 ALOGPS pKa (Strongest Acidic) 14.8 Chemaxon pKa (Strongest Basic) 8.76 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 32.7 Å2 Chemaxon Rotatable Bond Count 8 Chemaxon Refractivity 130.02 m3·mol-1 Chemaxon Polarizability 44.92 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