TAK875
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TAK875
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CAS No:
1374598-80-7
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Formula:
C29H32O7S.1/2H2O
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Chemical Name:
TAK875
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Synonyms:
[(3S)-6-({2',6'-dimethyl-4'-[3-(methylsulfonyl)propoxy]biphe-nyl-3-yl}meth-oxy)-2,3-dihydro-1-benzofuran-3-yl]acetic acid hemi-hydrate;TAK875(3S)-6-[[2',6'-Dimethyl-4'-[3-(methylsulfonyl)propoxy][1,1'-biphenyl]-3-yl]methoxy]-2,3-dihydro-3-benzofuranacetic acid;TAK-875(0.5H2O);(3S)-6-[[2',6'-Dimethyl-4'-[3-(methylsulfonyl)propoxy][1,1'-biphenyl]-3-yl]methoxy]-2,3-dihydro-3-benzofuranacetic acid hydrate (2:1);TAK875 hemihydrate
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CAS No:
Computed Properties
Molecular Weight:1067.3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:15
Rotatable Bond Count:22
Exact Mass:1066.38431374
Monoisotopic Mass:1066.38431374
Topological Polar Surface Area:216
Heavy Atom Count:75
Complexity:828
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:3
Compound Is Canonicalized:Yes
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