Nifekalant hydrochlorideProduct ingredient for Nifekalant
- Name
- Nifekalant hydrochloride
- Drug Entry
- Nifekalant
Nifekalant is under investigation in clinical trial NCT03855826 (Evaluation of the Efficacy and Safety of Nifekalant Hydrochloride (NIF) Injection).
- Accession Number
- DBSALT003126
- Structure
Structure for Nifekalant hydrochloride (DBSALT003126)
- Synonyms
- Nifekalant HCl
- External IDs
- MS 551 / MS-551
- UNII
- TPP5R0MDQS
- CAS Number
- 130656-51-8
- Weight
- Average: 441.91
Monoisotopic: 441.1778967 - Chemical Formula
- C19H28ClN5O5
- InChI Key
- YPVGGQKNWAKOPX-UHFFFAOYSA-N
- InChI
- InChI=1S/C19H27N5O5.ClH/c1-21-17(14-18(26)22(2)19(21)27)20-9-11-23(12-13-25)10-3-4-15-5-7-16(8-6-15)24(28)29;/h5-8,14,20,25H,3-4,9-13H2,1-2H3;1H
- IUPAC Name
- 6-({2-[(2-hydroxyethyl)[3-(4-nitrophenyl)propyl]amino]ethyl}amino)-1,3-dimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione hydrochloride
- SMILES
- Cl.CN1C(=O)C=C(NCCN(CCO)CCCC2=CC=C(C=C2)[N+]([O-])=O)N(C)C1=O
- External Links
- ChemSpider
- 108978
- ChEBI
- 31909
- ChEMBL
- CHEMBL553090
- Predicted Properties
Property Value Source Water Solubility 0.169 mg/mL ALOGPS logP 1.68 ALOGPS logP 1.25 Chemaxon logS -3.4 ALOGPS pKa (Strongest Acidic) 15.59 Chemaxon pKa (Strongest Basic) 8.81 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 119.26 Å2 Chemaxon Rotatable Bond Count 11 Chemaxon Refractivity 118.07 m3·mol-1 Chemaxon Polarizability 43.13 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