Primary Record
Trabectedin
- In stock
- 612 g
- Purity
- 98.9 %
- CAS
- 114899-77-3
Compound Identifiers & Properties
- CAS
- 114899-77-3
- PubChem CID
- 54194497
- SMILES
- CC1=CC2=C(C3C4C5C6=C(C(=C7C(=C6C(N4C(C(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@]21CSC2c3c(OC(C)=O)c(C)c4c(c3C(COC1=O)N1C(O)C3Cc5cc(C)c(OC)c(O)c5C(C21)N3C)OCO4
Names & Synonyms
- Trabectedin
- SCHEMBL31031313
- (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