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| CAS No.: | 88150-62-3 |
|---|---|
| Name: | Phthaloyl amlodipine |
| Molecular Structure: | |
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| Formula: | C28H27ClN2O7 |
| Molecular Weight: | 538.985 |
| Synonyms: | 4-(2-Chloroethyl)-3-ethoxycarbonyl-5-methoxycarbonyl-6-methyl-2-((2-phthalimidoethoxy)methyl)-1,4-dihydropyridine;4-(2-Chlorophenyl)-3-(ethoxycarbonyl)-5-(methoxycarbonyl)-6-methyl-2-[(2-phthalimidoethoxy)methyl]-1,4-dihydropyridine;Phthalimidoamlodipine; |
| EINECS: | 413-410-3 |
| Density: | 1.321 g/cm3 |
| Melting Point: | 140-145 °C |
| Boiling Point: | 654.061 °C at 760 mmHg |
| Flash Point: | 349.364 °C |
| Risk Codes: | 53 |
| Safety: | 61 |
| PSA: | 111.24000 |
| LogP: | 3.87050 |
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The CAS register number of Phthaloyl amlodipine is 88150-62-3. It also can be called as 4-(2-Chlorophenyl)-3-ethoxycarbonyl-5-methoxycarbonyl-6-methyl-2-(phthalimidoethoxy)methyl-1,4-dihydropyridine and the systematic name about this chemical is 3-ethyl 5-methyl 4-(2-chlorophenyl)-2-{[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethoxy]methyl}-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate. The molecular formula about this chemical is C28H27ClN2O7 and the molecular weight is 538.98. It belongs to the API intermediates. This chemical may cause long-term adverse effects in the aquatic environment. When you are using it, please avoid release to the environment. Refer to special instructions / safety data sheets.
Physical properties about Phthaloyl amlodipine are: (1)ACD/LogP: 4.45; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6; (4)ACD/LogD (pH 7.4): 6; (5)ACD/BCF (pH 5.5): 41343; (6)ACD/BCF (pH 7.4): 41358; (7)ACD/KOC (pH 5.5): 70139; (8)ACD/KOC (pH 7.4): 70164; (9)#H bond acceptors: 9; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 111.24Å2; (13)Index of Refraction: 1.589; (14)Molar Refractivity: 137.539 cm3; (15)Molar Volume: 407.948 cm3; (16)Polarizability: 54.525x10-24cm3; (17)Surface Tension: 50.873 dyne/cm; (18)Enthalpy of Vaporization: 96.343 kJ/mol; (19)Boiling Point: 654.061 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccccc1C2C(/C(=O)OCC)=C(\N\C(=C2\C(=O)OC)C)COCCN4C(=O)c3ccccc3C4=O
(2)InChI: InChI=1/C28H27ClN2O7/c1-4-38-28(35)24-21(15-37-14-13-31-25(32)17-9-5-6-10-18(17)26(31)33)30-16(2)22(27(34)36-3)23(24)19-11-7-8-12-20(19)29/h5-12,23,30H,4,13-15H2,1-3H3
(3)InChIKey: AHHPZGUFLGCZCF-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C28H27ClN2O7/c1-4-38-28(35)24-21(15-37-14-13-31-25(32)17-9-5-6-10-18(17)26(31)33)30-16(2)22(27(34)36-3)23(24)19-11-7-8-12-20(19)29/h5-12,23,30H,4,13-15H2,1-3H3
(5)Std. InChIKey: AHHPZGUFLGCZCF-UHFFFAOYSA-N
