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CAS No.: | 496775-61-2 |
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Name: | Eltrombopag |
Molecular Structure: | |
Formula: | C25H22N4O4 |
Molecular Weight: | 442.47 |
Synonyms: | Promacta;Revolade;3'-[2-[(2Z)-1-(3,4-Dimethylphenyl)-1,5-dihydro-3-methyl-5-oxo-4H-pyrazol-4-ylidene]hydrazinyl]-2'-hydroxy-[1,1'-biphenyl]-3-carboxylic acid; |
EINECS: | 610-469-9 |
Density: | 1.33 g/cm3 |
Melting Point: | 242-244 °C |
Boiling Point: | 656.8 °C at 760 mmHg |
Flash Point: | 351 °C |
Appearance: | Orange to red solid |
PSA: | 114.59000 |
LogP: | 4.13840 |
1. Introduction of Eltrombopag
Eltrombopag, with the systematic name of 3-[3-[(N'E)-N'-[1-(3,4-dimethylphenyl)-3-methyl-5-oxo-pyrazol-4-ylidene]hydrazino]-2-hydroxy-phenyl]benzoic acid, is one kind of white crystalline powder, odorless, little bitter taste. It should be stored in dry and cool environment.
2. Properties of Eltrombopag
The properties of the chemical are: (1)ACD/LogP: 4.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.59; (4)ACD/LogD (pH 7.4): 0.75; (5)#H bond acceptors: 8; (6)#H bond donors: 3; (7)#Freely Rotating Bonds: 6; (8)Polar Surface Area: 114.59 Å2; (9)Index of Refraction: 1.666; (10)Molar Refractivity: 123.53 cm3; (11)Molar Volume: 332 cm3; (12)Polarizability: 48.97×10-24cm3; (13)Surface Tension: 52.5 dyne/cm; (14)Enthalpy of Vaporization: 101.61 kJ/mol; (15)Vapour Pressure: 3.79×10-18 mmHg at 25°C..
3. Structure Descriptors of Eltrombopag
You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)c1cccc(c1)c4cccc(N\N=C3C(\C)=N/N(c2ccc(C)c(C)c2)C3=O)c4O
(2)InChI: InChI=1/C25H22N4O4/c1-14-10-11-19(12-15(14)2)29-24(31)22(16(3)28-29)27-26-21-9-5-8-20(23(21)30)17-6-4-7-18(13-17)25(32)33/h4-13,26,30H,1-3H3,(H,32,33)/b27-22+
(3)InChIKey: XDXWLKQMMKQXPV-HPNDGRJYBX