Chemical Compound

Trabectedin

CAS Registry Number 114899-77-3
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Trabectedin chemical structure
Primary Record

Trabectedin

In stock
612 g
Purity
98.9 %
CAS
114899-77-3

Compound Identifiers & Properties

CAS
114899-77-3
PubChem CID
23725056
SMILES
CC1=CC2=C([C@H]3[C@@H]4[C@H]5C6=C(C(=C7C(=C6[C@@H](N4[C@H]([C@@H](C2)N3C)O)COC(=O)[C@@]8(CS5)C9=CC(=C(C=C9CCN8)O)OC)OCO7)C)OC(=O)C)C(=C1OC)O
Canonical SMILES
COc1cc2c(cc1O)CCN[C@]21CS[C@@H]2c3c(OC(C)=O)c(C)c4c(c3[C@H](COC1=O)N1[C@@H]2[C@@H]2c3c(cc(C)c(OC)c3O)C[C@H]([C@@H]1O)N2C)OCO4

Names & Synonyms

  • Trabectedin
  • ecteinascidin 743
  • Ecteinascidin
  • Yondelis
  • Yondelis (TN)
  • Trabectedin [INN]
  • Ecteinascidine 743
  • UNII-ID0YZQ2TCP
  • RefChem:1100201
  • Trabectedin (JAN/USAN/INN)
  • Ect 743
  • Trabectedin [USAN:INN:BAN]
  • CCRIS 8133
  • Et 743
  • C39H43N3O11S
  • ET-743
  • ZINC150339740
  • C39-H43-N3-O11-S
  • NSC 648766
  • C16875
  • D06199
  • [(1R,2R,3S,11R,12S,14R,26R)-5,6',12-Trihydroxy-6,7'-dimethoxy-7,21,30-trimethyl-27-oxospiro[17,19,28-trioxa-24-thia-13,30-diazaheptacyclo[12.9.6.13,11.02,13.04,9.015,23.016,20]triaconta-4(9),5,7,15,20,22-hexaene-26,1'-3,4-dihydro-2H-isoquinoline]-22-yl] acetate
  • 114899-77-3