Products 1208255-63-3

CAS 1208255-63-3 is the registry number for Alisertib sodium hydrate. Offered by: TargetMol. Available pack sizes: 25mg, 50mg, 100mg.

Structural formula: {0} (CAS {1})

Sodium;4-[[9-chloro-7-(2-fluoro-6-methoxyphenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino]-2-methoxybenzoate;hydrate (CAS 1208255-63-3) is a chemical compound with the molecular formula C27H21ClFN4NaO5 and a molecular weight of 558.9 g/mol. IUPAC name: sodium;4-[[9-chloro-7-(2-fluoro-6-methoxyphenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino]-2-methoxybenzoate;hydrate. InChIKey: WLPXWQKMVACWII-UHFFFAOYSA-M.

Identity
Molecular formulaC27H21ClFN4NaO5
Molecular weight558.9 g/mol
IUPAC namesodium;4-[[9-chloro-7-(2-fluoro-6-methoxyphenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino]-2-methoxybenzoate;hydrate
InChIKeyWLPXWQKMVACWII-UHFFFAOYSA-M
SMILESCOC1=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.O.[Na+]

Computed by PubChem (NCBI)