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Chemical structure of Etoposide phosphate

GC60826

Etoposide phosphate

Also known as [4-[(5S,5aR,8aR,9R)-5-[[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-9-yl]-2,6-dimethoxyphenyl] dihydrogen phosphate

Etoposide phosphate (BMY-40481) is a potent anti-cancer chemotherapy agent and a selective topoisomerase II inhibitor?to prevent re-ligation of DNA strands

ChemicalCAS117091-64-2MW668.54FormulaC29H33O16P
CAS number
117091-64-2
Molecular weight
668.54
Formula
C29H33O16P
Solubility
Water： 125 mg/mL (186·97 mM)
InChIKey
LIQODXNTTZAGID-OCBXBXKTSA-N
Catalogue number
GC60826
Brand
GLPBIO
Computed properties PubChem CID 6918092 · XLogP -0.7 · TPSA 207 Ų · H-bond donors 4
XLogP
-0.7
TPSA
207 Ų
H-bond donors
4
H-bond acceptors
16
Rotatable bonds
7
Heavy atoms
46

SMILES C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)OP(=O)(O)O)OC)O)O

Computed descriptors from PubChem (CID 6918092), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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