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#15;4-[5-[[2-(2-ACETYLAMINO-2-CARBOXYETHANESULFANYL]-ETHYL]-[2-(2-AMINO-2-CARBOXYETHYLSULFINYL)-ETHYL]-AMINO]-1-METHYL-1H-BENZOIMIDAZOL-2-YL]-BUTANOIC-ACID
SpectraBase Compound ID 4BaI2Dq4dSo
InChI InChI=1S/2C24H35N5O8S2/c2*1-15(30)26-19(24(35)36)14-39(37)11-9-29(8-10-38-13-17(25)23(33)34)16-6-7-20-18(12-16)27-21(28(20)2)4-3-5-22(31)32/h2*6-7,12,17,19H,3-5,8-11,13-14,25H2,1-2H3,(H,26,30)(H,31,32)(H,33,34)(H,35,36)/t2*17-,19-,39?/m00/s1
InChIKey NHTZQWHAAAYSSA-LDOBOEBESA-N
Mol Weight 1171.4 g/mol
Molecular Formula C48H70N10O16S4
Exact Mass 1170.385411 g/mol
Enantiomer InChIKey NHTZQWHAAAYSSA-VORGQEJRSA-N
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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