Dersalazine SodiumProduct ingredient for Dersalazine
- Name
- Dersalazine Sodium
- Drug Entry
- Dersalazine
- Accession Number
- DBSALT002003
- Structure
Structure for Dersalazine Sodium (DBSALT002003)
- Synonyms
- Not Available
- UNII
- BAB844203H
- CAS Number
- 367249-56-7
- Weight
- Average: 622.661
Monoisotopic: 622.23044778 - Chemical Formula
- C35H31N6NaO4
- InChI Key
- YLEYSRAGECECMB-UUHDFEAYSA-M
- InChI
- InChI=1S/C35H32N6O4.Na/c1-23-37-31-21-36-16-13-32(31)41(23)22-24-14-17-40(18-15-24)34(43)20-29(25-5-3-2-4-6-25)26-7-9-27(10-8-26)38-39-28-11-12-33(42)30(19-28)35(44)45;/h2-13,16,19-21,24,42H,14-15,17-18,22H2,1H3,(H,44,45);/q;+1/p-1/b29-20-,39-38+;
- IUPAC Name
- sodium 2-hydroxy-5-[(E)-2-{4-[(1Z)-3-[4-({2-methyl-1H-imidazo[4,5-c]pyridin-1-yl}methyl)piperidin-1-yl]-3-oxo-1-phenylprop-1-en-1-yl]phenyl}diazen-1-yl]benzoate
- SMILES
- [Na+].CC1=NC2=CN=CC=C2N1CC1CCN(CC1)C(=O)\C=C(\C1=CC=CC=C1)C1=CC=C(C=C1)\N=N\C1=CC=C(O)C(=C1)C([O-])=O
- External Links
- ChemSpider
- 32699186
- Predicted Properties
Property Value Source Water Solubility 0.00466 mg/mL ALOGPS logP 6.67 ALOGPS logP 5.14 Chemaxon logS -5.1 ALOGPS pKa (Strongest Acidic) 3.23 Chemaxon pKa (Strongest Basic) 5.56 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 8 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 136.1 Å2 Chemaxon Rotatable Bond Count 8 Chemaxon Refractivity 195.05 m3·mol-1 Chemaxon Polarizability 64.63 Å3 Chemaxon Number of Rings 6 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon