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Eltrombopag (496775-61-2)

Identification
Name:Eltrombopag
Synonyms: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
CAS:496775-61-2
Molecular Formula: C25H22N4O4
Molecular Weight: 442.47
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-
Molecular Structure: (C25H22N4O4) 3'-[2-[(2Z)-1-(3,4-Dimethylphenyl)-1,5-dihydro-3-methyl-5-oxo-4H-pyrazol-4-ylidene]hydrazinyl]-2'-hy...
Properties
Density:1.33
Refractive index:1.666
Appearance:Orange to red solid
Specification:

The Eltrombopag with the CAS number 496775-61-2 is also called Revolade. The systematic name is 3-[3-[(N'E)-N'-[1-(3,4-dimethylphenyl)-3-methyl-5-oxo-pyrazol-4-ylidene]hydrazino]-2-hydroxy-phenyl]benzoic acid. Its molecular formula is C25H22N4O4. This chemical is a kind of organics. It should be stored in dry and cool environment.

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..

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

Safety Data