Bendamustine Bis-mercapturic Acid

For research use only. Not for therapeutic Use.

  • CAT Number: R011701
  • CAS Number: 956344-34-6
  • Molecular Formula: C26H37N5O8S2
  • Molecular Weight: 611.729
  • Purity: ≥95%
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Catalog Number R011701
CAS Number 956344-34-6
Synonyms

5-[Bis[2-[[(2R)-2-(acetylamino)-2-carboxyethyl]thio]ethyl]amino]-1-methyl-1H-benzimidazole-2-butanoic Acid;

Molecular Formula C26H37N5O8S2
Purity ≥95%
Storage -20°C
IUPAC Name 4-[5-[bis[2-[(2R)-2-acetamido-2-carboxyethyl]sulfanylethyl]amino]-1-methylbenzimidazol-2-yl]butanoic acid
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
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

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