Fosbretabulin tromethamineProduct ingredient for Fosbretabulin
- Name
- Fosbretabulin tromethamine
- Drug Entry
- Fosbretabulin
Fosbretabulin has been investigated for the treatment of Anaplastic Thyroid Cancer.
- Accession Number
- DBSALT003314
- Structure
Structure for Fosbretabulin tromethamine (DBSALT003314)
- Synonyms
- Not Available
- UNII
- GBW044919E
- CAS Number
- 404886-32-4
- Weight
- Average: 517.468
Monoisotopic: 517.171297852 - Chemical Formula
- C22H32NO11P
- InChI Key
- FIDMEHCRMLKKPZ-YSMBQZINSA-N
- InChI
- InChI=1S/C18H21O8P.C4H11NO3/c1-22-14-8-7-12(9-15(14)26-27(19,20)21)5-6-13-10-16(23-2)18(25-4)17(11-13)24-3;5-4(1-6,2-7)3-8/h5-11H,1-4H3,(H2,19,20,21);6-8H,1-3,5H2/b6-5-;
- IUPAC Name
- 2-amino-2-(hydroxymethyl)propane-1,3-diol; {2-methoxy-5-[(1Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy}phosphonic acid
- SMILES
- NC(CO)(CO)CO.COC1=CC=C(\C=C/C2=CC(OC)=C(OC)C(OC)=C2)C=C1OP(O)(O)=O
- External Links
- ChemSpider
- 8361686
- ChEMBL
- CHEMBL2105643
- Predicted Properties
Property Value Source Water Solubility 0.00239 mg/mL ALOGPS logP 2.41 ALOGPS logP 2.72 Chemaxon logS -5.2 ALOGPS pKa (Strongest Acidic) 1.62 Chemaxon pKa (Strongest Basic) -4.3 Chemaxon Physiological Charge -2 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 103.68 Å2 Chemaxon Rotatable Bond Count 11 Chemaxon Refractivity 100.22 m3·mol-1 Chemaxon Polarizability 38.18 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon