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Eltrombopag

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Name

Eltrombopag

EINECS 610-469-9
CAS No. 496775-61-2 Density 1.33 g/cm3
PSA 114.59000 LogP 4.13840
Solubility N/A Melting Point 242-244 °C
Formula C25H22N4O4 Boiling Point 656.8 °C at 760 mmHg
Molecular Weight 442.47 Flash Point 351 °C
Transport Information N/A Appearance Orange to red solid
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 496775-61-2 (Eltrombopag) Hazard Symbols N/A
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;

 

Eltrombopag Specification

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

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