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Onradivir monohydrate

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Category Influenza Virus
CAS 2375241-19-1
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Product Information

Synonyms Onradivir monohydrate;NZ6PVJ5SD5;UNII-NZ6PVJ5SD5;2375241-19-1;(2S,3S)-3-((6-Cyclopropyl-5-fluoro-2-(5-fluoro-1H-pyrazolo(3,4-b)pyridin-3-yl)pyrimidin-4-yl)amino)bicyclo(2.2.2)octane-2-carboxylic acid monohydrate;Bicyclo(2.2.2)octane-2-carboxylic acid, 3-((6-cyclopropyl-5-fluoro-2-(5-fluoro-1H-pyrazolo(3,4-b)pyridin-3-yl)-4-pyrimidinyl)amino)-, hydrate (1:1), (2S,3S)-;DA-56463;
IUPAC Name (2S,3S)-3-[[6-cyclopropyl-5-fluoro-2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid;hydrate
Molecular Weight 644.6
Molecular Formula C29H37N6O9P
Canonical SMILES C[C@@H](C(=O)OC(C)C)NP(=O)(OC[C@@H]1[C@H]([C@@]([C@](O1)(C#N)C2=CC=C3N2N=CN=C3N)(C)O)OC(=O)C(C)C)OC4=CC=CC=C4
InChI InChI=1S/C22H22F2N6O2.H2O/c23-12-7-13-18(29-30-19(13)25-8-12)21-27-17(11-5-6-11)15(24)20(28-21)26-16-10-3-1-9(2-4-10)14(16)22(31)32;/h7-11,14,16H,1-6H2,(H,31,32)(H,25,29,30)(H,26,27,28);1H2/t9?,10?,14-,16-;/m0./s1
InChIKey XUXVTSUIFIUZSZ-MJSCHBGXSA-N
Storage Please store the product under the recommended conditions in the Certificate of Analysis.

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