Exatecan

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Exatecan
Names
Preferred IUPAC name
(1S,9S)-1-Amino-9-ethyl-5-fluoro-9-hydroxy-4-methyl-1,2,3,9,12,15-hexahydro-10H,13H-benzo[de]pyrano[3′,4′:6,7]indolizino[1,2-b]quinoline-10,13-dione
Identifiers
3D model (
JSmol
)
ChEMBL
ChemSpider
UNII
  • InChI=1S/C24H22FN3O4/c1-3-24(31)14-6-18-21-12(8-28(18)22(29)13(14)9-32-23(24)30)19-16(26)5-4-11-10(2)15(25)7-17(27-21)20(11)19/h6-7,16,31H,3-5,8-9,26H2,1-2H3/t16-,24-/m0/s1 checkY
    Key: ZVYVPGLRVWUPMP-FYSMJZIKSA-N checkY
  • InChI=1/C24H22FN3O4/c1-3-24(31)14-6-18-21-12(8-28(18)22(29)13(14)9-32-23(24)30)19-16(26)5-4-11-10(2)15(25)7-17(27-21)20(11)19/h6-7,16,31H,3-5,8-9,26H2,1-2H3/t16-,24-/m0/s1
    Key: ZVYVPGLRVWUPMP-FYSMJZIKBW
SMILES
  • CCC1(C2=C(COC1=O)C(=O)N3CC4=C5C(CCC6=C5C(=CC(=C6C)F)N=C4C3=C2)N)O
  • Fc2c(c6c1c(c5c(nc1c2)C=3N(C(=O)\C4=C(/C=3)[C@](O)(C(=O)OC4)CC)C5)[C@@H](N)CC6)C
Properties
C24H22FN3O4
Molar mass 435.455 g·mol−1
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
☒N verify (what is checkY☒N ?)

Exatecan is a drug which is a

antineoplastic activity.[1]

A derivative is used in Trastuzumab deruxtecan.

Synthesis

Exatecan synthesis[2]

References

  1. PMID 16983112
    .
  2. ^ H. Terasawa, A. Ejima, S. Ohsuki, K. Uoto, U.S. Patent 5,834,476 (1998).


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