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4-[5-[[2-(2-ACETYLAMINO-2-CARBOXYETHYLSULFANYL)-ETHYL]-(2-CHLOROETHYL)-AMINO]-1-METHYL-1H-BENZOIMIDAZOL-2-YL]-BUTANOIC-ACID
SpectraBase Compound ID 92LSVsRae21
InChI InChI=1S/C21H29ClN4O5S/c1-14(27)23-17(21(30)31)13-32-11-10-26(9-8-22)15-6-7-18-16(12-15)24-19(25(18)2)4-3-5-20(28)29/h6-7,12,17H,3-5,8-11,13H2,1-2H3,(H,23,27)(H,28,29)(H,30,31)/t17-/m0/s1
InChIKey RMIJIJQISVRNOT-KRWDZBQOSA-N
Mol Weight 485.0 g/mol
Molecular Formula C21H29ClN4O5S
Exact Mass 484.154719 g/mol
Enantiomer InChIKey RMIJIJQISVRNOT-QGZVFWFLSA-N
Racemate InChIKey RMIJIJQISVRNOT-UHFFFAOYSA-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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