Ivaltinostat phosphateProduct ingredient for Ivaltinostat
- Name
- Ivaltinostat phosphate
- Drug Entry
- Ivaltinostat
- Accession Number
- DBSALT003268
- Structure
Structure for Ivaltinostat phosphate (DBSALT003268)
- Synonyms
- (e)-n1-(3-(dimethylamino)propyl)-n8-hydroxy-2-((naphthalen-1-yloxy)methyl)oct-2-enediamide phosphate / 2-octenediamide, n1-(3-(dimethylamino)propyl)-n8-hydroxy-2-((1-naphthalenyloxy)methyl)-, (2e)-, phosphate (1:1)
- External IDs
- CG-745
- UNII
- QA3Y8EZG57
- CAS Number
- 2173017-02-0
- Weight
- Average: 525.539
Monoisotopic: 525.224002129 - Chemical Formula
- C24H36N3O8P
- InChI Key
- UOKSXAOZBSWROR-DOELHFPHSA-N
- InChI
- InChI=1S/C24H33N3O4.H3O4P/c1-27(2)17-9-16-25-24(29)20(11-4-3-5-15-23(28)26-30)18-31-22-14-8-12-19-10-6-7-13-21(19)22;1-5(2,3)4/h6-8,10-14,30H,3-5,9,15-18H2,1-2H3,(H,25,29)(H,26,28);(H3,1,2,3,4)/b20-11+;
- IUPAC Name
- (2E)-N-[3-(dimethylamino)propyl]-N'-hydroxy-2-[(naphthalen-1-yloxy)methyl]oct-2-enediamide; phosphoric acid
- SMILES
- OP(O)(O)=O.CN(C)CCCNC(=O)C(\COC1=C2C=CC=CC2=CC=C1)=C\CCCCC(=O)NO
- External Links
- Not Available
- Predicted Properties
Property Value Source logP 1.89 Chemaxon pKa (Strongest Acidic) 9.65 Chemaxon pKa (Strongest Basic) 9.05 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 90.9 Å2 Chemaxon Rotatable Bond Count 13 Chemaxon Refractivity 123.07 m3·mol-1 Chemaxon Polarizability 48.93 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