
API0232983
Baloxavir Marboxil
Baloxavir Marboxil is an antiviral drug (for influenza).
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CAS No.
1985606-14-1
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Synonyms
Baloxavir marboxil; Xofluza; S-033188
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CHEMBL ID
CHEMBL4297503
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Indications
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Molecule Type
Small molecule
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Compound CID
124081896
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Molecular Weight (g/mol)
571.6
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Molecular Formula
C27H23F2N3O7S
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InChI
InChI=1S/C27H23F2N3O7S/c1-36-27(35)39-14-38-25-19(33)8-9-31-24(25)26(34)30-10-11-37-12-21(30)32(31)23-15-6-7-18(28)22(29)17(15)13-40-20-5-3-2-4-16(20)23/h2-9,21,23H,10-14H2,1H3/t21-,23+/m1/s1
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InChIKey
RZVPBGBYGMDSBG-GGAORHGYSA-N
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SMILES
COC(=O)OCOC1=C2C(=O)N3CCOC[C@H]3N(N2C=CC1=O)[C@H]4C5=C(CSC6=CC=CC=C46)C(=C(C=C5)F)F
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IUPAC Name
[(3R)-2-[(11S)-7,8-difluoro-6,11-dihydrobenzo[c][1]benzothiepin-11-yl]-9,12-dioxo-5-oxa-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-dien-11-yl]oxymethyl methyl carbonate
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Exact Mass (Da)
571.12247758
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Monoisotopic Mass (Da)
571.12247758
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