CAS No.68550-75-4,CILOSTAMIDE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	68550-75-4
Name:	CILOSTAMIDE
Article Data:	5

Formula:	C₂₀H₂₆N₂O₃
Molecular Weight:	342.438
Synonyms:	Cilostamide;OPC 3689;
Density:	1.18 g/cm³
Melting Point:	186～188℃
Boiling Point:	594.3 °C at 760 mmHg
Flash Point:	313.2 °C
Transport Information:	UN 3249

Total:10 Page 1 of 1 1

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Specification

This chemical is called Butanamide,N-cyclohexyl-4-[(1,2-dihydro-2-oxo-6-quinolinyl)oxy]-N-methyl-, and its systematic name is N-cyclohexyl-N-methyl-4-[(2-oxo-1,2-dihydroquinolin-6-yl)oxy]butanamide. With the molecular formula of C₂₀H₂₆N₂O₃, its molecular weight is 342.43. The CAS registry number of the chemical is 68550-75-4. Additionally, its product category is Cyclic Nucleotide related.

Other characteristics of Butanamide,N-cyclohexyl-4-[(1,2-dihydro-2-oxo-6-quinolinyl)oxy]-N-methyl- can be summarised as followings: (1)ACD/LogP: 2.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.7; (4)ACD/LogD (pH 7.4): 2.7; (5)ACD/BCF (pH 5.5): 66.06; (6)ACD/BCF (pH 7.4): 66.05; (7)ACD/KOC (pH 5.5): 698.74; (8)ACD/KOC (pH 7.4): 698.61; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 49.85 Å²; (13)Index of Refraction: 1.585; (14)Molar Refractivity: 96.87 cm³; (15)Molar Volume: 288.7 cm³; (16)Polarizability: 38.4×10^-24cm³; (17)Surface Tension: 51.3 dyne/cm; (18)Density: 1.18 g/cm³; (19)Flash Point: 313.2 °C; (20)Enthalpy of Vaporization: 88.59 kJ/mol; (21)Boiling Point: 594.3 °C at 760 mmHg; (22)Vapour Pressure: 4.29E-14 mmHg at 25°C.

Production method of this chemical: The Butanamide,N-cyclohexyl-4-[(1,2-dihydro-2-oxo-6-quinolinyl)oxy]-N-methyl- could be obtained by the reactant of Cyclohexyl-methyl-amine and 4-(2-Oxo-1,2-dihydro-quinolin-6-yloxy)-butyric acid. This reaction needs the reagents of Isobutyl chloroformiate, Triethylamine, and the solvent of Dimethylformamide. The yield is 32 %. In addition, this reaction should be taken for 15 minutes at the temperature of 0 °C.

The Butanamide,N-cyclohexyl-4-[(1,2-dihydro-2-oxo-6-quinolinyl)oxy]-N-methyl- could be obtained by the reactant of Cyclohexyl-methyl-amine and 4-(2-Oxo-1,2-dihydro-quinolin-6-yloxy)-butyric acid

Uses of this chemical: The Butanamide,N-cyclohexyl-4-[(1,2-dihydro-2-oxo-6-quinolinyl)oxy]-N-methyl- could react with Iodomethane, and obtain the N-cyclohexyl-N-methyl-4-(1-methyl-2-oxo-1,2-dihydro-quinolin-6-yloxy)-butyramide. This reaction needs the reagent of NaH, and the solvent of Dimethylformamide. The yield is 90 %. In addition, this reaction should be taken for 1 hour at the ambient temperature.

The Butanamide,N-cyclohexyl-4-[(1,2-dihydro-2-oxo-6-quinolinyl)oxy]-N-methyl- could react with Iodomethane, and obtain the N-cyclohexyl-N-methyl-4-(1-methyl-2-oxo-1,2-dihydro-quinolin-6-yloxy)-butyramide

You can still convert the following datas into molecular structure:
1.SMILES: O=C(N(C1CCCCC1)C)CCCOc3ccc2c(\C=C/C(=O)N2)c3
2.InChI: InChI=1/C20H26N2O3/c1-22(16-6-3-2-4-7-16)20(24)8-5-13-25-17-10-11-18-15(14-17)9-12-19(23)21-18/h9-12,14,16H,2-8,13H2,1H3,(H,21,23)
3.InChIKey: UIAYVIIHMORPSJ-UHFFFAOYAW
4.Std. InChI: InChI=1S/C20H26N2O3/c1-22(16-6-3-2-4-7-16)20(24)8-5-13-25-17-10-11-18-15(14-17)9-12-19(23)21-18/h9-12,14,16H,2-8,13H2,1H3,(H,21,23)
5.Std. InChIKey: UIAYVIIHMORPSJ-UHFFFAOYSA-N