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
126843209
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
  • SCHEMBL12119916
  • (1'R,6R,6aR,7R,13S,14S,16R)-6',8,14-trihydroxy-7',9-dimethoxy-4,10,23-trimethyl-19-oxo-3',4',6,7,12,13,14,16-octahydrospiro[6,16-(epithiopropano-oxymethano)-7,13-imino-6aH-1,3-dioxolo[7,8]isoquino[3,2-b][3]benzazocine-20,1'(2'H)-isoquinolin]-5-yl acetate
  • 114899-77-3