Products 2767011-00-5

CAS 2767011-00-5 is the registry number for BI 7446. Offered by: MedChemExpress. Available pack sizes: Get quote.

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

3-[(1R,6R,8R,9R,10R,15R,17R,18R)-8-(6-aminopurin-9-yl)-9-fluoro-12,18-dihydroxy-3-oxo-3-sulfanyl-12-sulfanylidene-2,4,7,11,13,16-hexaoxa-3lambda5,12lambda5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-imidazo[4,5-d]pyridazin-7-one (CAS 2767011-00-5) is a chemical compound with the molecular formula C20H22FN9O10P2S2 and a molecular weight of 693.5 g/mol. IUPAC name: 3-[(1R,6R,8R,9R,10R,15R,17R,18R)-8-(6-aminopurin-9-yl)-9-fluoro-12,18-dihydroxy-3-oxo-3-sulfanyl-12-sulfanylidene-2,4,7,11,13,16-hexaoxa-3lambda5,12lambda5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-imidazo[4,5-d]pyridazin-7-one. InChIKey: DAWAAQFAHQWLHI-XWOMVGJLSA-N.

Identity
Molecular formulaC20H22FN9O10P2S2
Molecular weight693.5 g/mol
IUPAC name3-[(1R,6R,8R,9R,10R,15R,17R,18R)-8-(6-aminopurin-9-yl)-9-fluoro-12,18-dihydroxy-3-oxo-3-sulfanyl-12-sulfanylidene-2,4,7,11,13,16-hexaoxa-3lambda5,12lambda5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-imidazo[4,5-d]pyridazin-7-one
InChIKeyDAWAAQFAHQWLHI-XWOMVGJLSA-N
SMILESC1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C3C=NNC4=O)OP(=O)(OC[C@@H]5[C@H]([C@H]([C@@H](O5)N6C=NC7=C(N=CN=C76)N)F)OP(=S)(O1)O)S)O

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