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| Name |
3(2H)-Pyridazinone,6-[4-(difluoromethoxy)-3-methoxyphenyl]- |
EINECS | N/A |
| CAS No. | 101975-10-4 | Density | 1.38 g/cm3 |
| PSA | 64.21000 | LogP | 2.04690 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C12H10F2N2O3 | Boiling Point | N/A |
| Molecular Weight | 268.22 | Flash Point | N/A |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Zardaverine;6-(4-(Difluoromethoxy)-3-methoxyphenyl)-3(2H)-pyridazinone;Zardaverina;Zardaverinum; |
3(2H)-Pyridazinone,6-[4-(difluoromethoxy)-3-methoxyphenyl]- Specification
The IUPAC name of 3(2H)-Pyridazinone,6-[4-(difluoromethoxy)-3-methoxyphenyl]- is 3-[4-(difluoromethoxy)-3-methoxyphenyl]-1H-pyridazin-6-one. With the CAS registry number 101975-10-4, it is also named as Zardaverine. The product's category is Cyclic Nucleotide related. Besides, it is phosphodiesterase inhibitor, which is selective for PDE3 and 4 (IC 50 values are 0.5 and 0.8 μ M respectively). It is also available as part of the phosphodiesterase inhibitor TocrisetTM. In addition, its molecular formula is C12H10F2N2O3 and its molecular weight is 268.22.
The other characteristics of 3(2H)-Pyridazinone,6-[4-(difluoromethoxy)-3-methoxyphenyl]- can be summarized as: (1)ACD/LogP: 0.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.9; (4)ACD/LogD (pH 7.4): 0.9; (5)ACD/BCF (pH 5.5): 2.84; (6)ACD/BCF (pH 7.4): 2.84; (7)ACD/KOC (pH 5.5): 73.45; (8)ACD/KOC (pH 7.4): 73.43; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 51.13 Å2; (13)Index of Refraction: 1.554; (14)Molar Refractivity: 62.04 cm3; (15)Molar Volume: 193.4 cm3; (16)Polarizability: 24.59×10-24cm3; (17)Surface Tension: 39.3 dyne/cm; (18)Density: 1.38 g/cm3.
People can use the following data to convert to the molecule structure.
(1)SMILES: O=C1/C=C\C(=N/N1)\c2cc(OC)c(OC(F)F)cc2
(2)InChI: InChI=1/C12H10F2N2O3/c1-18-10-6-7(2-4-9(10)19-12(13)14)8-3-5-11(17)16-15-8/h2-6,12H,1H3,(H,16,17)
(3)InChIKey: HJMQDJPMQIHLPB-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C12H10F2N2O3/c1-18-10-6-7(2-4-9(10)19-12(13)14)8-3-5-11(17)16-15-8/h2-6,12H,1H3,(H,16,17)
(5)Std. InChIKey: HJMQDJPMQIHLPB-UHFFFAOYSA-N
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