CAS No.398507-55-6,Lodenafil carbonate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	398507-55-6
Name:	Lodenafil carbonate

Formula:	C₄₇H₆₂N₁₂O₁₁S₂
Molecular Weight:	1035.20
Synonyms:	1-Piperazineethanol, 4-[[3-(4,7-dihydro-1-methyl-7-oxo-3-propyl-1H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-ethoxyphenyl]sulfonyl]-, carbonate (2:1) (ester) (9CI);Bis[2-(4-{[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-4,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl]sulfonyl}-1-piperazinyl)ethyl] carbonate;
Density:	1.471 g/cm³
Boiling Point:	1108.998 °C at 760 mmHg
Flash Point:	624.499 °C
PSA:	279.13000
LogP:	5.04220

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Specification

The 7H-Pyrazolo[4,3-d]pyrimidin-7-one, 5,5'-[carbonylbis[oxy-2,1-ethanediyl-4,1-piperazinediylsulfonyl(6-ethoxy-3,1-phenylene)]]bis[1,6-dihydro-1-methyl-3-propyl-, with the CAS registry number 398507-55-6, is also known as Lodenafil carbonate. This chemical's molecular formula is C₄₇H₆₂N₁₂O₁₁S₂ and molecular weight is 1035.20. What's more, both its IUPAC name and systematic name are the same which is called Bis[2-(4-{[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-4,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl]sulfonyl}-1-piperazinyl)ethyl] carbonate. This chemical is a drug belonging to a class of drugs called PDE5 inhibitor, which many other erectile dysfunction drugs such as sildenafil, tadalafil, and vardenafil also belong to. Like udenafil and avanafil it belongs to a new generation of PDE5 inhibitors.

Physical properties about 7H-Pyrazolo[4,3-d]pyrimidin-7-one, 5,5'-[carbonylbis[oxy-2,1-ethanediyl-4,1-piperazinediylsulfonyl(6-ethoxy-3,1-phenylene)]]bis[1,6-dihydro-1-methyl-3-propyl- are: (1)ACD/LogP: 3.132; (2)# of Rule of 5 Violations: 2; (3)#H bond acceptors: 23; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 22; (6)Polar Surface Area: 270.55 Å²; (7)Index of Refraction: 1.685; (8)Molar Refractivity: 267.344 cm³; (9)Molar Volume: 703.635 cm³; (10)Polarizability: 105.983×10^-24cm³; (11)Surface Tension: 60.803 dyne/cm; (12)Density: 1.471 g/cm³; (13)Flash Point: 624.499 °C; (14)Enthalpy of Vaporization: 163.517 kJ/mol; (15)Boiling Point: 1108.998 °C at 760 mmHg; (16)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C2\N=C(/Nc1c(nn(c12)C)CCC)c3cc(ccc3OCC)S(=O)(=O)N4CCN(CC4)CCOC(=O)OCCN5CCN(CC5)S(=O)(=O)c8cc(C\6=N\C(=O)c7c(N/6)c(nn7C)CCC)c(OCC)cc8
(2) InChI: InChI=1S/C47H62N12O11S2/c1-7-11-35-39-41(54(5)52-35)45(60)50-43(48-39)33-29-31(13-15-37(33)67-9-3)71(63,64)58-21-17-56(18-22-58)25-27-69-47(62)70-28-26-57-19-23-59(24-20-57)72(65,66)32-14-16-38(68-10-4)34(30-32)44-49-40-36(12-8-2)53-55(6)42(40)46(61)51-44/h13-16,29-30H,7-12,17-28H2,1-6H3,(H,48,50,60)(H,49,51,61)
(3) InChIKey: MVYUCRDXZXLFSB-UHFFFAOYSA-N