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Bicalutamide O-β-D-Glucuronide , CAS No.151262-59-8
Basic Description
Synonyms | 1-[4-Cyano-3-(trifluoromethyl)anilino]-3-[4-fluoro(~2~H_4_)benzene-1-sulfonyl]-2-methyl-1-oxopropan-2-yl beta-D-glucopyranosiduronic acid | BICALUTAMIDE O-BETA-D-GLUCURONIDE | DTXSID00747145 | (2S,3S,4S,5R,6S)-6-[1-[4-cyano-3-(trifluoromethyl)anilino]-2-m |
Shipped In | Normal |
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Names and Identifiers
IUPAC Name | (2S,3S,4S,5R,6S)-6-[1-[4-cyano-3-(trifluoromethyl)anilino]-2-methyl-1-oxo-3-(2,3,5,6-tetradeuterio-4-fluorophenyl)sulfonylpropan-2-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid |
INCHI | InChI=1S/C24H22F4N2O10S/c1-23(10-41(37,38)14-6-3-12(25)4-7-14,40-21-18(33)16(31)17(32)19(39-21)20(34)35)22(36)30-13-5-2-11(9-29)15(8-13)24(26,27)28/h2-8,16-19,21,31-33H,10H2,1H3,(H,30,36)(H,34,35)/t16-,17-,18+,19-,21-,23?/m0/s1/i3D,4D,6D,7D |
InChi Key | OYKHNYWINRLUAP-PIAAOKSUSA-N |
Canonical SMILES | CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)OC3C(C(C(C(O3)C(=O)O)O)O)O |
Isomeric SMILES | [2H]C1=C(C(=C(C(=C1F)[2H])[2H])S(=O)(=O)CC(C)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)[2H] |
PubChem CID | 71313965 |
Molecular Weight | 606.5 |
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