API reference
Lurbinectedin
- CAS number
- 497871-47-3
- Molecular formula
- C41H44N4O10S
- Molecular weight
- 784.9 g/mol
About this molecule
Lurbinectedin is an antineoplastic alkylating agent and synthetic derivative of trabectedin that is used to treat refractory, metastatic small cell lung cancer. Lurbinectedin therapy is associated with a high rate of transient serum enzyme elevations during treatment and with occasional instances of clinically apparent liver injury with jaundice.
Source: LiverTox, via PubChem.
Identifiers
- IUPAC name
- [(1R,2R,3R,11S,12S,14R,26R)-5,12-dihydroxy-6,6'-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'-2,3,4,9-tetrahydropyrido[3,4-b]indole]-22-yl] acetate
- InChIKey
- YDDMIZRDDREKEP-HWTBNCOESA-N
- 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=C(CCN8)C2=C(N9)C=CC(=C2)OC)OCO7)C)OC(=O)C)C(=C1OC)O
- PubChem CID
- 57327016
Also known as
Lurbinectedin · Tryptamicidin · Zepzelca · zepsyre · lurbinectedina · lurbinectedine · lurbinectedinum · Lurbinectedin?
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