Zotiraciclib citrateProduct ingredient for Zotiraciclib
- Name
- Zotiraciclib citrate
- Drug Entry
- Zotiraciclib
Zotiraciclib is under investigation in clinical trial NCT02942264 (Zotiraciclib (TG02) Plus Dose-dense or Metronomic Temozolomide Followed by Randomized Phase II Trial of Zotiraciclib (TG02) Plus Temozolomide Versus Temozolomide Alone in Adults With Recurrent Anaplastic Astrocytoma and Glioblastoma).
- Accession Number
- DBSALT003170
- Structure
Structure for Zotiraciclib citrate (DBSALT003170)
- Synonyms
- Zotiraciclib citrate
- External IDs
- TG-02 citrate / TG02 citrate
- UNII
- 3VF50SU4RZ
- CAS Number
- 1204918-73-9
- Weight
- Average: 564.595
Monoisotopic: 564.222014006 - Chemical Formula
- C29H32N4O8
- InChI Key
- NWYDRHSNEATNRI-SQQVDAMQSA-N
- InChI
- InChI=1S/C23H24N4O.C6H8O7/c1-27-13-3-2-4-14-28-21-10-6-8-19(16-21)22-11-12-24-23(26-22)25-20-9-5-7-18(15-20)17-27;7-3(8)1-6(13,5(11)12)2-4(9)10/h2-3,5-12,15-16H,4,13-14,17H2,1H3,(H,24,25,26);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/b3-2+;
- IUPAC Name
- (16E)-14-methyl-20-oxa-5,7,14,27-tetraazatetracyclo[19.3.1.1^{2,6}.1^{8,12}]heptacosa-1(24),2,4,6(27),8,10,12(26),16,21(25),22-decaene; 2-hydroxypropane-1,2,3-tricarboxylic acid
- SMILES
- OC(=O)CC(O)(CC(O)=O)C(O)=O.CN1C\C=C\CCOC2=CC(=CC=C2)C2=CC=NC(NC3=CC=CC(C1)=C3)=N2
- External Links
- ChemSpider
- 64854472
- ChEMBL
- CHEMBL4298173
- Predicted Properties
Property Value Source Water Solubility 0.0438 mg/mL ALOGPS logP 5.16 ALOGPS logP 4.63 Chemaxon logS -3.9 ALOGPS pKa (Strongest Acidic) 13.21 Chemaxon pKa (Strongest Basic) 7.36 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 50.28 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 114.03 m3·mol-1 Chemaxon Polarizability 40.99 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon