Tinostamustine hydrochlorideProduct ingredient for Tinostamustine
- Name
- Tinostamustine hydrochloride
- Drug Entry
- Tinostamustine
Tinostamustine is under investigation in clinical trial NCT03452930 (Tinostamustine With or Without Radiation Therapy in Treating Patients With Newly Diagnosed MGMT-Unmethylated Glioblastoma).
- Accession Number
- DBSALT003266
- Structure
Structure for Tinostamustine hydrochloride (DBSALT003266)
- Synonyms
- 1H-BENZIMIDAZOLE-2-HEPTANAMIDE, 5-(BIS(2-CHLOROETHYL)AMINO)-N-HYDROXY-1-METHYL-, HYDROCHLORIDE (1:1) / 2-DESBUTYLCARBOXY-2-(N-HYDROXYHEPTANAMINO) BENDAMUSTINE HYDROCHLORIDE / Tinostamustine HCl
- UNII
- QK4ZBS4FPO
- CAS Number
- 1793059-58-1
- Weight
- Average: 451.82
Monoisotopic: 450.1356093 - Chemical Formula
- C19H29Cl3N4O2
- InChI Key
- DWGQFQRWFYIINU-UHFFFAOYSA-N
- InChI
- InChI=1S/C19H28Cl2N4O2.ClH/c1-24-17-9-8-15(25(12-10-20)13-11-21)14-16(17)22-18(24)6-4-2-3-5-7-19(26)23-27;/h8-9,14,27H,2-7,10-13H2,1H3,(H,23,26);1H
- IUPAC Name
- 7-{5-[bis(2-chloroethyl)amino]-1-methyl-1H-1,3-benzodiazol-2-yl}-N-hydroxyheptanamide hydrochloride
- SMILES
- Cl.CN1C(CCCCCCC(=O)NO)=NC2=C1C=CC(=C2)N(CCCl)CCCl
- External Links
- ChemSpider
- 68007202
- Predicted Properties
Property Value Source Water Solubility 0.012 mg/mL ALOGPS logP 4.61 ALOGPS logP 3.72 Chemaxon logS -4.5 ALOGPS pKa (Strongest Acidic) 8.92 Chemaxon pKa (Strongest Basic) 7.2 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 70.39 Å2 Chemaxon Rotatable Bond Count 12 Chemaxon Refractivity 110.31 m3·mol-1 Chemaxon Polarizability 45.94 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon