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
15100413
SMILES
C[C@@]1(C(=O)C2=C3C[C@@H](CN(C3=CC(=C2N1)O)C(=O)C4=CC5=CC(=C(C(=C5N4)OC)OC)OC)Br)C(=O)OC
Canonical SMILES
COC(=O)[C@]1(C)Nc2c(O)cc3c(c2C1=O)C[C@H](Br)CN3C(=O)c1cc2cc(OC)c(OC)c(OC)c2[nH]1

Names & Synonyms

  • Duocarmycin B1
  • Antibiotic DC 89B1
  • Duocarmycin B(sub 1)
  • RefChem:920701
  • C26H26BrN3O8
  • DTXSID50924782
  • CHEMBL322666
  • NIOSH/JV1200000
  • SCHEMBL19493153
  • SCHEMBL29804871
  • CHEBI:202156
  • SUWUAMDOMCWKCL-GWQKEKGPSA-N
  • DTXCID801527930
  • C26-H26-Br-N3-O8
  • 124325-93-5
  • BBF-01772
  • J330.490F
  • JV12000000
  • methyl (2R,8S)-8-bromo-4-hydroxy-2-methyl-1-oxo-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-3,7,8,9-tetrahydropyrrolo[3,2-f]quinoline-2-carboxylate
  • 1H-Pyrrolo3,2-fquinoline-2-carboxylic acid, 8-bromo-2,3,6,7,8,9-hexahydro-4-hydroxy-2-methyl-1-oxo-6
  • (2R)-8beta-Bromo-2,3,6,7,8,9-hexahydro-4-hydroxy-2-methyl-1-oxo-6-(5,6,7-trimethoxy-1H-indol-2-ylcarbonyl)-1H-pyrrolo[3,2-f]quinoline-2alpha-carboxylic acid methyl ester
  • 1H-Pyrrolo(3,2-f)quinoline-2-carboxylic acid, 8-bromo-2,3,6,7,8,9-hexahydro-4-hydroxy-2-methyl-1-oxo-6-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester, (2R-trans)-
  • 1H-Pyrrolo[3,2-f]quinoline-2-carboxylic acid, 8-bromo-2,3,6,7,8,9-hexahydro-4-hydroxy-2-methyl-1-oxo-6-[(5,6,7-trimethoxy-1H-indol-2-yl)carbonyl]-, methyl ester, (2R,8S)-
  • methyl (2R,8S)-8-bromo-4-hydroxy-2-methyl-1-oxo-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-1H,2H,3H,6H,7H,8H,9H-pyrrolo[3,2-f]quinoline-2-carboxylate
  • Methyl (2R,8S)-8-bromo-4-hydroxy-2-methyl-1-oxo-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-2,3,6,7,8,9-hexahydro-1H-pyrrolo[3,2-f]quinoline-2-carboxylate
  • methyl (2R,8S)-8-bromo-4-hydroxy-2-methyl-1-oxo-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-3,7,8,9-tetrahydropyrrolo(3,2-f)quinoline-2-carboxylate
  • methyl (2R,8S)-8-bromo-4-hydroxy-2-methyl-1-oxo-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-3,7,8,9-tetrahydropyrrolo[3,2-]quinoline-2-carboxylate