1.0 2026-04-05 14:07:35 UTC 2026-05-14 19:24:26 UTC Lurbinectedin SmallMolecule Lurbinectedin belongs to the harmala alkaloids, a class of alkaloids and derivatives within the organic compounds. With an average molecular weight of 784.88 g/mol, Lurbinectedin is a heavy molecule. It has the chemical formula C41H44N4O10S. This compound is recorded as a source within healthcare, pharmaceuticals, and veterinary products, specifically as an antineoplastic agent. The recorded route of exposure for this substance is intravenous. C41H44N4O10S 784.88 784.2778146 497871-47-3 COC1=CC2=C(NC3=C2CCN[C@]32CS[C@H]3[C@H]4[C@@H]5N(C)[C@@H](CC6=C5C(O)=C(OC)C(C)=C6)[C@H](O)N4[C@@H](COC2=O)C2=C4OCOC4=C(C)C(OC(C)=O)=C32)C=C1 InChI=1S/C41H44N4O10S/c1-17-11-20-12-25-39(48)45-26-14-52-40(49)41(38-22(9-10-42-41)23-13-21(50-5)7-8-24(23)43-38)15-56-37(31(45)30(44(25)4)27(20)32(47)33(17)51-6)29-28(26)36-35(53-16-54-36)18(2)34(29)55-19(3)46/h7-8,11,13,25-26,30-31,37,39,42-43,47-48H,9-10,12,14-16H2,1-6H3/t25-,26-,30+,31+,37+,39-,41+/m0/s1 YDDMIZRDDREKEP-HWTBNCOESA-N Detected and Not Quantified Lurbinectedin Drug Metabolism Action Pathway SMP0144881 logp 4.52 average_mass 784.88 ChemAxon mono_mass 784.2778146 ChemAxon smiles COC1=CC2=C(NC3=C2CCN[C@]32CS[C@H]3[C@H]4[C@@H]5N(C)[C@@H](CC6=C5C(O)=C(OC)C(C)=C6)[C@H](O)N4[C@@H](COC2=O)C2=C4OCOC4=C(C)C(OC(C)=O)=C32)C=C1 ChemAxon formula C41H44N4O10S ChemAxon inchi InChI=1S/C41H44N4O10S/c1-17-11-20-12-25-39(48)45-26-14-52-40(49)41(38-22(9-10-42-41)23-13-21(50-5)7-8-24(23)43-38)15-56-37(31(45)30(44(25)4)27(20)32(47)33(17)51-6)29-28(26)36-35(53-16-54-36)18(2)34(29)55-19(3)46/h7-8,11,13,25-26,30-31,37,39,42-43,47-48H,9-10,12,14-16H2,1-6H3/t25-,26-,30+,31+,37+,39-,41+/m0/s1 ChemAxon inchikey YDDMIZRDDREKEP-HWTBNCOESA-N ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7225bc33f8> DB12674 57327016