- Manidipine
- Manidipine hydrochloride
- 89226-75-53,5-Pyridinedicarboxylicacid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-,3-[2-[4-(diphenylmethyl)-1-piperazinyl]ethyl] 5-methyl ester, hydrochloride(1:2)
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Cas Database |
| Name |
Manidipine |
EINECS | 1806241-263-5 |
| CAS No. | 89226-50-6 | Density | 1.232 g/cm3 |
| PSA | 116.93000 | LogP | 5.68080 |
| Solubility | N/A | Melting Point |
125-128°C |
| Formula | C35H38N4O6 | Boiling Point | 722 °C at 760 mmHg |
| Molecular Weight | 610.71 | Flash Point | 390.4 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
1,4-Dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylic Acid 2-[4-(Diphenylmethyl)-1-piperazinyl]ethyl Methyl Ester;MANIDIPINE: MANIDIPINE DIHYDROCHLORIDE;3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 2-[4-(diphenylmethyl)-1-piperazinyl]ethyl methyl ester (9CI);Franidipine;Manidipine 6300;1,4-Dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylic acid 3-methyl 5-[2-[4-(diphenylmethyl)-1-piperazinyl]ethyl] ester;1,4-Dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylic acid 5-methyl 3-[2-[4-(diphenylmethyl)-1-piperazinyl]ethyl] ester;1,4-Dihydro-2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylic acid 3-[2-[4-(diphenylmethyl)piperazin-1-yl]ethyl]5-methyl ester |
Article Data | 4 |
Manidipine Specification
The Manidipine, with CAS registry number 89226-50-6, belongs to the following product categories: (1)Dihydropyridine Class Chemicals; (2)Intermediates & Fine Chemicals; (3)Pharmaceuticals. It has the systematic name of 2-[4-(diphenylmethyl)piperazin-1-yl]ethyl methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate. This chemical is a kind of light yellow crystalline solid. This chemical is mainly used as dihydropyridin type of calcium antagonists. And it is used for hypertension sickness.
Physical properties of Manidipine: (1)ACD/LogP: 5.46; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): 4.88; (4)ACD/LogD (pH 7.4): 5.45; (5)ACD/BCF (pH 5.5): 2187.18; (6)ACD/BCF (pH 7.4): 8068.1; (7)ACD/KOC (pH 5.5): 5846.06; (8)ACD/KOC (pH 7.4): 21565.02; (9)#H bond acceptors: 10; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 12; (12)Polar Surface Area: 108.14 Å2; (13)Index of Refraction: 1.6; (14)Molar Refractivity: 169.69 cm3; (15)Molar Volume: 495.5 cm3; (16)Polarizability: 67.27×10-24cm3; (17)Surface Tension: 50.1 dyne/cm; (18)Density: 1.232 g/cm3; (19)Flash Point: 390.4 °C; (20)Enthalpy of Vaporization: 105.46 kJ/mol; (21)Boiling Point: 722 °C at 760 mmHg; (22)Vapour Pressure: 1.07E-20 mmHg at 25°C.
Preparation: this chemical can be prepared by compound (Ⅲ), 3-Nitrobenzaldehyde and Methyl acetoacetate. Then let this three compounds dissolve in iso-Propyl alcohol. After six hours' reflux, stirring, you can get this chemical. The yield is about 17.8%.
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You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1cccc(c1)C5C(/C(=O)OC)=C(\N\C(=C5\C(=O)OCCN4CCN(C(c2ccccc2)c3ccccc3)CC4)C)C
(2)InChI: InChI=1/C35H38N4O6/c1-24-30(34(40)44-3)32(28-15-10-16-29(23-28)39(42)43)31(25(2)36-24)35(41)45-22-21-37-17-19-38(20-18-37)33(26-11-6-4-7-12-26)27-13-8-5-9-14-27/h4-16,23,32-33,36H,17-22H2,1-3H3
(3)InChIKey: ANEBWFXPVPTEET-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C35H38N4O6/c1-24-30(34(40)44-3)32(28-15-10-16-29(23-28)39(42)43)31(25(2)36-24)35(41)45-22-21-37-17-19-38(20-18-37)33(26-11-6-4-7-12-26)27-13-8-5-9-14-27/h4-16,23,32-33,36H,17-22H2,1-3H3
(5)Std. InChIKey: ANEBWFXPVPTEET-UHFFFAOYSA-N
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