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4-[5-[BIS-[2-(2-ACETYLAMINO-2-CARBOXYETHYLSULFANYL)-ETHYL]-AMINO]-1-METHYL-1H-BENZOIMIDAZOL-2-YL]-BUTANOIC-ACID
SpectraBase Compound ID 4SdbECqA57y
InChI InChI=1S/C26H37N5O8S2/c1-16(32)27-20(25(36)37)14-40-11-9-31(10-12-41-15-21(26(38)39)28-17(2)33)18-7-8-22-19(13-18)29-23(30(22)3)5-4-6-24(34)35/h7-8,13,20-21H,4-6,9-12,14-15H2,1-3H3,(H,27,32)(H,28,33)(H,34,35)(H,36,37)(H,38,39)/t20-,21-/m0/s1
InChIKey YSTNDPUOARKGRL-SFTDATJTSA-N
Mol Weight 611.7 g/mol
Molecular Formula C26H37N5O8S2
Exact Mass 611.208356 g/mol
Enantiomer InChIKey YSTNDPUOARKGRL-NHCUHLMSSA-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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