Barnidipine CAS#: 104713-75-9; ChemWhat Code: 137478
Identification
| Product Name | Barnidipine |
| IUPAC Name | 5-O-[(3S)-1-benzylpyrrolidin-3-yl] 3-O-methyl (4S)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate |
| Molecular Structure |  |
| CAS Registry Number | 104713-75-9 |
| EINECS Number | No data available |
| MDL Number | No data available |
| Beilstein Registry Number | No data available |
| Synonyms | barnidipinemepirodipine |
| Molecular Formula | C27H29N3O6 |
| Molecular Weight | 491.544 |
| InChI | InChI=1S/C27H29N3O6/c1-17-23(26(31)35-3)25(20-10-7-11-21(14-20)30(33)34)24(18(2)28-17)27(32)36-22-12-13-29(16-22)15-19-8-5-4-6-9-19/h4-11,14,22,25,28H,12-13,15-16H2,1-3H3/t22-,25-/m0/s1 |
| InChI Key | VXMOONUMYLCFJD-DHLKQENFSA-N |
| Canonical SMILES | COC(=O)C1=C(C)NC(C)=C(C(=O)O[C@H]2CCN(Cc3ccccc3)C2)[C@H]1c1cccc(N+[O-])c1 |
| Patent Information | ||
| Patent ID | Title | Publication Date |
| EP2703398 | 1,4-DIHYDROPYRIDINE -3,5-DICARBOXYLATE DERIVATIVES, PREPARATION METHODS AND USES THEREOF | 2014 |
| US2007/293552 | ANTIHYPERTENSIVE THERAPY METHOD | 2007 |
| US2008/139593 | METHOD FOR TREATING A PULMONARY HYPERTENSION CONDITION | 2008 |
Physical Data
| Appearance | Yellow powder |
| Solubility | Soluble in dimethyl sulfoxide |
| Boiling point | 614.5±55.0 °C(Predicted) |
| Melting Point, °C | Solvent (Melting Point) |
| 137 – 139 | ethanol |
Spectra
| Description (Mass Spectrometry) |
| GCMS (Gas chromatography mass spectrometry), Spectrum |
| Description (UV/VIS Spectroscopy) | Solvent (UV/VIS Spectroscopy) | Absorption Maxima (UV/VIS), nm |
| Spectrum | methanol | 356 |
Route of Synthesis (ROS)
| Conditions | Yield |
| Stage #1: barnidipine With hydrogenchloride In water Stage #2: In water at 20℃; for 6h; | 74.6% |
| In ethanol at 20℃; for 1.66667h; Daylight; |
Safety and Hazards
| GHS Hazard Statements | Not Classified |
Other Data
| Transportation | NONH for all modes of transport |
| Under the room temperature and away from light | |
| HS Code | No data available |
| Storage | Under the room temperature and away from light |
| Shelf Life | 1 year |
| Market Price | USD |
| Druglikeness | |
| Lipinski rules component | |
| Molecular Weight | 491.544 |
| logP | 5.053 |
| HBA | 6 |
| HBD | 1 |
| Matching Lipinski Rules | 4 |
| Veber rules component | |
| Polar Surface Area (PSA) | 113.69 |
| Rotatable Bond (RotB) | 9 |
| Matching Veber Rules | 2 |
| Use Pattern |
| Pharmaceuticals |
| mast cell stabilizer |
| treating heart failure with preserved ejection fraction (HFPEF) |
| Alzheimer’s disease |
| age-related changes in the liver microcirculation |
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Approved Manufacturers | |
| Caming Pharmaceutical Ltd | http://www.caming.com/ |
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Other Suppliers | |
| Watson International Limited | Visit Watson Official Website |
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