Bendamustine bis-mercapturic acid

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Catalog Number
ACM956344346
Product Name
Bendamustine bis-mercapturic acid
CAS
956344-34-6
Category
Heterocyclic Organic Compound
Synonyms
5-[Bis[2-[[(2R)-2-(acetylamino)-2-carboxyethyl]thio]ethyl]amino]-1-methyl-1H-benzimidazole-2-butanoic Acid;
IUPAC Name
4-[5-[bis[2-[(2R)-2-acetamido-2-carboxyethyl]sulfanylethyl]amino]-1-methylbenzimidazol-2-yl]butanoic acid
Molecular Weight
611.73
Molecular Formula
C26H37N5O8S2
Canonical SMILES
CC(=O)NC(CSCCN(CCSCC(C(=O)O)NC(=O)C)C1=CC2=C(C=C1)N(C(=N2)CCCC(=O)O)C)C(=O)O
InChI Key
YSTNDPUOARKGRL-SFTDATJTSA-N
Exact Mass
611.20800
H-Bond Acceptor
12
H-Bond Donor
5
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