Chemical Compound

Duocarmycin B1

CAS Registry Number 124325-93-5
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Duocarmycin B1 chemical structure
Primary Record

Duocarmycin B1

In stock
9,413 g
Purity
99.7 %
CAS
124325-93-5

Compound Identifiers & Properties

CAS
124325-93-5
PubChem CID
130156
SMILES
C[C@@H]1[C@H](CC2=C3C(=O)[C@@H](NC3=C(C=C2N1C(=O)C4=CC5=CC(=C(C(=C5N4)OC)OC)OC)O)C(=O)OC)Br
Canonical SMILES
COC(=O)[C@@H]1Nc2c(O)cc3c(c2C1=O)C[C@H](Br)[C@@H](C)N3C(=O)c1cc2cc(OC)c(OC)c(OC)c2[nH]1

Names & Synonyms

  • Duocarmycin B1
  • AC1L2WVQ
  • CID130156
  • DB-220854
  • 124325-93-5
  • methyl (2R,7R,8S)-8-bromo-4-hydroxy-7-methyl-1-oxo-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-3,7,8,9-tetrahydro-2H-pyrrolo[3,2-f]quinoline-2-carboxylate
  • Methyl (2r,7r,8s)-8-bromo-4-hydroxy-7-methyl-1-oxo-6-(5,6,7-trimethoxy1H-indole-2-carbonyl)-3,7,8,9-tetrahydro-2H-pyrido[3,2-e]indole-2-carboxylate