Products 850728-18-6
CAS 850728-18-6 appears in our catalog under these names: Tenifatecan/ 99.58% (existing batch purity), Tenifatecan. Offered by: TargetMol, Chemat, MedChemExpress. Available pack sizes: 1mg, 5mg, 10mg, 25mg, 50mg, 100mg, 500mg, 10 mg.
1-O-[(19S)-10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl] 4-O-[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl] butanedioate (CAS 850728-18-6) is a chemical compound with the molecular formula C55H72N2O9 and a molecular weight of 905.2 g/mol. IUPAC name: 1-O-[(19S)-10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl] 4-O-[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl] butanedioate. InChIKey: KRHZRBUSQSYTTP-PTXGIJCNSA-N.
| Molecular formula | C55H72N2O9 |
|---|---|
| Molecular weight | 905.2 g/mol |
| IUPAC name | 1-O-[(19S)-10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl] 4-O-[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl] butanedioate |
| InChIKey | KRHZRBUSQSYTTP-PTXGIJCNSA-N |
| SMILES | CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)CCC(=O)OC6=C(C7=C(C(=C6C)C)O[C@](CC7)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C |
Computed by PubChem (NCBI)