Trabectedin
[(1R,2R,3R,11S,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
Molecular Identity
Trabectedin
[(1R,2R,3R,11S,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
PubChem CID: 108150
Trabectedin is a tetrahydroisoquinoline alkaloid obtained from a Caribbean tunicate Ecteinascidia turbinata. Used for the treatment of soft tissue sarcoma and relapsed ovarian cancer. It has a role as an alkylating agent, an antineoplastic agent, an angiogenesis modulating agent, an anti-inflammatory agent and a marine metabolite. It is an organic sulfide, an isoquinoline alkaloid, a lactone, a polyphenol, an azaspiro compound, a bridged compound, an oxaspiro compound, an organic heteropolycyclic compound, an acetate ester, a tertiary amino compound and a hemiaminal.
2D Structure
Properties
C39H43N3O11S
Molecular Formula
761.80
Molecular Weight
g/mol
761.2618
Exact Mass
Da
3.4
XLogP
Drug-like (Lipinski: < 5)
194
TPSA
May have limited oral absorption
4
H-Bond Donors
15
H-Bond Acceptors
1450
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Trabectedin114899-77-3YondelisEcteinascidinecteinascidin 743ET-743ET743Et 743Ect 743trabectedineTrabectedinaDTXSID2046880ID0YZQ2TCPEcteinascidins trabectedinNSC-648766
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Trabectedin
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