Products 1777721-70-6

CAS 1777721-70-6 is the registry number for Pimodivir (hydrochlorid hemihydrate). Offered by: MedChemExpress. Available pack sizes: Get quote.

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

Bis((2S,3S)-3-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid);hydrate;dihydrochloride (CAS 1777721-70-6) is a chemical compound with the molecular formula C40H42Cl2F4N10O5 and a molecular weight of 889.7 g/mol. IUPAC name: bis((2S,3S)-3-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid);hydrate;dihydrochloride. InChIKey: WPLSKBKDOCXXMO-KIHJVYKPSA-N.

Identity
Molecular formulaC40H42Cl2F4N10O5
Molecular weight889.7 g/mol
IUPAC namebis((2S,3S)-3-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid);hydrate;dihydrochloride
InChIKeyWPLSKBKDOCXXMO-KIHJVYKPSA-N
SMILESC1CC2CCC1[C@@H]([C@H]2NC3=NC(=NC=C3F)C4=CNC5=C4C=C(C=N5)F)C(=O)O.C1CC2CCC1[C@@H]([C@H]2NC3=NC(=NC=C3F)C4=CNC5=C4C=C(C=N5)F)C(=O)O.O.Cl.Cl

Computed by PubChem (NCBI)