Exatecan
(10S,23S)-23-amino-10-ethyl-18-fluoro-10-hydroxy-19-methyl-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione
Also Known As: Exatecan|Exatecan mesylate|Exatecan [INN]|exatecan-mesylate|Exatecan free base|Exatecan (Standard)|exatecan hydrochloride|DX-8951f|EXATECAN [MI]|DX-8951|Dx 8951|EXATECAN [WHO-DD]|DX-8951a|UM-1|UM-2|Irinotecan Impurity 36; Exatecan|EX-A2683|3663AH|HY-13631R|CS-2951
| Molecular Formula | C24H22FN3O4 |
|---|---|
| Molecular Weight | 435.15942 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 435.15942 |
| Monoisotopic Mass | 435.15942 |
| Heavy Atoms | 32 |
| Complexity | 950.0 |
Chemical Identifiers
| CAS Number | 169869-90-3 |
|---|---|
| SMILES | CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C5[C@H](CCC6=C5C(=CC(=C6C)F)N=C4C3=C2)N)O |
| InChIKey | ZVYVPGLRVWUPMP-FYSMJZIKSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Exatecan (CAS 169869-90-3), with molecular formula C24H22FN3O4 and molecular weight 435.15942 g/mol. IUPAC: (10S,23S)-23-amino-10-ethyl-18-fluoro-10-hydroxy-19-methyl-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione.
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