| CAS Number | 1246929-01-0 |
| Catalog Number | AG009EZY(AGN-PC-0WOZHJ) |
| Chemical Name | Eltrombopag Methyl Ester |
| IUPAC Name | methyl 3-[3-[[2-(3,4-dimethylphenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-2-hydroxyphenyl]benzoate |
| InChI | InChI=1S/C26H24N4O4/c1-15-11-12-20(13-16(15)2)30-25(32)23(17(3)29-30)28-27-22-10-6-9-21(24(22)31)18-7-5-8-19(14-18)26(33)34-4/h5-14,29,31H,1-4H3 |
| InChI Key | ZFOIOIMYYANYQN-UHFFFAOYSA-N |
| MDL Number | MFCD31562608 |
| Molecular Formula | C26H24N4O4 |
| Molecular Weight | 456.4932 |
| SMILES | CC=1C=C(C=CC1C)N1N=C(/C(/C1=O)=N/NC=1C(=C(C=CC1)C1=CC(=CC=C1)C(=O)OC)O)C |
| Synonyms | Eltrombopag Methyl Ester,
SCHEMBL403288,
GFBMVYONHLIMFU-NFFVHWSESA-N,
1246929-01-0,
(Z)-methyl 3'-(2-(1-(3,4-dimethylphenyl)-3-methyl-5-oxo-1H-pyrazol-4(5H)-ylidene)hydrazinyl)-2'-hydroxybiphenyl-3-carboxy late,
(Z)-methyl 3'-(2-(1-(3,4-dimethylphenyl)-3-methyl-5-oxo-1H-pyrazol-4(5H)-ylidene)hydrazinyl)-2'-hydroxybiphenyl-3-carboxylate,
|
| Complexity | 828 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 456.18g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 34 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 456.502g/mol |
| Monoisotopic Mass | 456.18g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 104A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number