Dexniguldipine hydrochlorideProduct ingredient for Dexniguldipine
- Name
- Dexniguldipine hydrochloride
- Drug Entry
- Dexniguldipine
- Accession Number
- DBSALT002716
- Structure
Structure for Dexniguldipine hydrochloride (DBSALT002716)
- Synonyms
- Dexniguldipine HCl
- External IDs
- B-8509-035 / B-8509-35 / B-859-35 / BY-935
- UNII
- 0642TZ1JZN
- CAS Number
- 113145-70-3
- Weight
- Average: 646.18
Monoisotopic: 645.2605637 - Chemical Formula
- C36H40ClN3O6
- InChI Key
- MHOSUIMBPQVOEU-MGDILKBHSA-N
- InChI
- InChI=1S/C36H39N3O6.ClH/c1-25-31(34(40)44-3)33(27-12-10-17-30(24-27)39(42)43)32(26(2)37-25)35(41)45-23-11-20-38-21-18-36(19-22-38,28-13-6-4-7-14-28)29-15-8-5-9-16-29;/h4-10,12-17,24,33,37H,11,18-23H2,1-3H3;1H/t33-;/m1./s1
- IUPAC Name
- 3-[3-(4,4-diphenylpiperidin-1-yl)propyl] 5-methyl (4R)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate hydrochloride
- SMILES
- Cl.[H]N1C(C)=C([C@@H](C2=CC(=CC=C2)[N+]([O-])=O)C(C(=O)OCCCN2CCC(CC2)(C2=CC=CC=C2)C2=CC=CC=C2)=C1C)C(=O)OC
- External Links
- ChemSpider
- 5293310
- Predicted Properties
Property Value Source Water Solubility 0.000113 mg/mL ALOGPS logP 6.27 ALOGPS logP 5.6 Chemaxon logS -6.7 ALOGPS pKa (Strongest Acidic) 19.47 Chemaxon pKa (Strongest Basic) 9.59 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 111.01 Å2 Chemaxon Rotatable Bond Count 12 Chemaxon Refractivity 185.9 m3·mol-1 Chemaxon Polarizability 66.92 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon