Eltrombopag Impurity A
Basic information
- CAS
2734533-17-4- Standard SMILES
Cc1ccc(-n2[nH]c(C)c(N=[N+]([O-])c3cccc(-c4cccc(C(=O)O)c4)c3O)c2=O)cc1C- InChIKey
GVDUFKHKOJVVHL-UHFFFAOYSA-N- Molecular formula
- C25H22N4O5
- Average molar mass
- 458.5 g/mol
- Monoisotopic mass
- 458.15901982
Names & identifiers
- Preferred name
- Eltrombopag Impurity A
- IUPAC
- [3-(3-carboxyphenyl)-2-hydroxyphenyl]-[[2-(3,4-dimethylphenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]imino]-oxidoazanium
- English name
- [1,1'-Biphenyl]-3-carboxylic acid, 3'-[[[1-(3,4-dimethylphenyl)-1,5-dihydro-3-methyl-5-oxo-4H-pyrazol-4-ylidene]amino]hydroxyamino]-2'-hydroxy-
- Molecular formula
- C25H22N4O5
- Molecular weight
- 458.47
Names & synonyms
2734533-17-4Eltrombopag Impurity 30Eltrombopag Impurity AEltrombopag Impurity 155R2JYP6T3BCEltrombopag N-Oxide Impurity(E)-3'-(2-(1-(3,4-dimethylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene)-1-hydroxyhydrazineyl)-2'-hydroxy-[1,1'-biphenyl]-3-carboxylic acid(Z)-3'-(2-(1-(3,4-dimethylphenyl)-3-methyl-5-oxo-1H-pyrazol-4(5H)-ylidene)-1-hydroxyhydrazinyl)-2'-hydroxy-[1,1'-biphenyl]-3-carboxylic acid[1,1'-Biphenyl]-3-carboxylic acid, 3'-[[[1-(3,4-dimethylphenyl)-1,5-dihydro-3-methyl-5-oxo-4H-pyrazol-4-ylidene]amino]hydroxyamino]-2'-hydroxy-3'-(2-(1-(3,4-dimethylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene)-1-hydroxyhydrazineyl)-2'-hydroxy-[1,1'-biphenyl]-3-carboxylic acid3'-[[[1-(3,4-Dimethylphenyl)-1,5-dihydro-3-methyl-5-oxo-4H-pyrazol-4-ylidene]amino]hydroxyamino]-2'-hydroxy[1,1'-biphenyl]-3-carboxylic acidN-Hydroxy Eltrombopag Isomer
Show more names
Eltrombopag Impurity 18(Z-isomer)Eltrombopag Impurity 164 (Mixture of E/Z-isomers)1,1'-Biphenyl]-3-carboxylic acid, 3'-[[[1-(3,4-dimethylphenyl)-1,5-dihydro-3-methyl-5-oxo-4H-pyrazol-4-ylidene]amino]hydroxyamino]-2'-hydroxy-
Database identifiers
- CAS
2734533-17-4- PubChem CID
- 175673727
- UNII
- R2JYP6T3BC
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 858
Physicochemical properties
- Boiling point
- 710.6 · 710.6±70.0 °C(Predicted)
- Density
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- pka
- 4.03 · 4.03±0.10(Predicted)
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