Chemical Compound

CHEMBL5963531

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CHEMBL5963531 chemical structure
Primary Record

CHEMBL5963531

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
138403966
SMILES
CN1CC[C@@H](C1)COC(=O)C(CO)(C2=CC=CC=C2)NCC3=CC=C(S3)C(=O)O[C@@H](CC4=C(C=[N+](C=C4Cl)[O-])Cl)C5=CC(=C(C=C5)OC)OC
Canonical SMILES
COc1ccc([C@H](Cc2c(Cl)c[n+]([O-])cc2Cl)OC(=O)c2ccc(CNC(CO)(C(=O)OC[C@H]3CCN(C)C3)c3ccccc3)s2)cc1OC

Names & Synonyms

  • CHEMBL5963531
  • SCHEMBL20815629
  • BDBM325711
  • US9636336, Example 115
  • US9636336, Example 126
  • US9636336, Example 127
  • [(1S)-2-(3,5-dichloro-1-oxido-pyridin-1-ium-4-yl)-1-(3,4-dimethoxyphenyl)ethyl]5-[[[1-(hydroxymethyl)-2-[[(3S)-1-methylpyrrolidin-3-yl]methoxy]-2-oxo-1-phenyl-ethyl]amino]methyl]thiophene-2-carboxylate