Product Information
Chemical Formula: | C27H20ClFN4O4 |
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Molecular Weight: | 518.92 |
Synonyms: | Benzoic Acid, 4-[[9-Chloro-7-(2-Fluoro-6-Methoxyphenyl)-5H-Pyrimido[5,4-D][2]Benzazepin-2-Yl]Amino]-2-Methoxy-; Mln-8237 4-[[9-Chloro-7-(2-Fluoro-6-Methoxyphenyl)-5H-Pyrimido[5,4-D][2]Benzazepin-2-Yl]Amino]-2-Methoxybenzoic Acid; Alisertib (Auroura A Kinase Inhibitor); Fluorocyclopentenylcytosine; 4-((9-Chloro-7-(2-Fluoro-6-Methoxyphenyl)-5H-Benzo[C]Pyrimido-[4,5-E]Azepin-2-Yl)Amino)-2-Meth; Mln-823; 4-[[9-Chloro-7-(2-Fluoro-6-Methoxyphenyl)-5H-Pyrimido[5,4-D][2]Benzazepin-2-Yl]Amino]-2-Methoxybenzoic Acid; Mln-8237 |
MDL No.: | MFCD16621243 |
EINECS / EC No.: | N/A |
Pubchem CID: | 24771867 |
IUPAC Name: | 4-[[9-chloro-7-(2-fluoro-6-methoxyphenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino]-2-methoxybenzoic acid |
Standard InchI: | InChI=1S/C27H20ClFN4O4/c1-36-21-5-3-4-20(29)23(21)25-19-10-15(28)6-8-17(19)24-14(12-30-25)13-31-27(33-24)32-16-7-9-18(26(34)35)22(11-16)37-2/h3-11,13H,12H2,1-2H3,(H,34,35)(H,31,32,33) |
InchI Key: | ZLHFILGSQDJULK-UHFFFAOYSA-N |
SMILES: | COC1=C(C(=CC=C1)F)C2=NCC3=CN=C(N=C3C4=C2C=C(C=C4)Cl)NC5=CC(=C(C=C5)C(=O)O)OC |
Appearance: | - |
Melting Point: | N/A |
Boiling Point: | 729.134 °C at 760 mmHg |
Density (Theoretical): | 1.438 g/cm3 |
Safety Information
Signal Word: | Warning |
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Hazard Statements: | H302-H315-H319-H335 |
Precautionary Statements: | P261-P305+P351+P338 |
Flash Point: | 394.766 °C |
Transportation Information: | N/A |
GHS Pictograms: |