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4-[5-[[2-(2-ACETYLAMINO-2-CARBOXYETHANESULFINYL]-ETHYL]-(2-HYDROXYETHYL)-AMINO]-1-METHYL-1H-BENZOIMIDAZOL-2-YL]-BUTANOIC-ACID
SpectraBase Compound ID E3CptjcZT9a
InChI InChI=1S/2C21H30N4O7S/c2*1-14(27)22-17(21(30)31)13-33(32)11-9-25(8-10-26)15-6-7-18-16(12-15)23-19(24(18)2)4-3-5-20(28)29/h2*6-7,12,17,26H,3-5,8-11,13H2,1-2H3,(H,22,27)(H,28,29)(H,30,31)/t2*17-,33?/m00/s1
InChIKey FCUQCLPXHNTFNY-SOXGLTPUSA-N
Mol Weight 965.1 g/mol
Molecular Formula C42H60N8O14S2
Exact Mass 964.367041 g/mol
Enantiomer InChIKey FCUQCLPXHNTFNY-YDPWBRBUSA-N
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Title Journal or Book Year
Identification and Quantitation of theN-Acetyl-L-cysteineS-Conjugates of Bendamustine and Its Sulfoxides in Human Bile after Administration of Bendamustine Hydrochloride Drug Metabolism and Disposition 2008
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