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2015 May 5
Smiles: C[C@@]1(O)CON(C1)C(=O)C1=C(CC2C(=NNC=2C)C(F)(F)F)SC2=C1C(=O)N(C)C(=O)N2C(C)C
InChiKey: SMOBCLHAZXOKDQ-ZJUUUORDSA-N
Characterization of EHT 1864
NC1=NC(NC[C@@H]2CC[C@@H](CNS(=O)(=O)C3=CC=CC4=CC=CC=C43)CC2)=NC2=CC=CC=C21
Bendamustine bis-mercapturic acid-d6 8386 2015 May 5Product information CAS Number: 1356930 62 5 Molecular Weight: 617. 77 Formula: C26H37N5O8S2 Chemical Name: 4 {5 [bis(2 {[(2R) 2 carboxy 2 [(2,2,2 H)acetamido]ethyl]sulfanyl}ethyl)amino] 1 methyl 1H 1,3 benzodiazol 2 yl}butanoic acid Smiles: [2H]C([2H])([2H])C(=O)N[C@@H](CSCCN(CCSC[C@H](NC(=O)C([2H])([2H])[2H])C(O)=O)C1C=C2N=C(CCCC(O)=O)N(C)C2=CC=1)C(O)=O InChiKey: YSTNDPUOARKGRL GFRDMBKQSA N InChi: InChI=1S C26H37N5O8S2 c1 16(32)27 20(25(36)37)14 40
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