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Chemical structure of Etoposide

GC15617

Etoposide

Also known as 5-[(7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl)oxy]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one

Etoposide (VP-16) is a nonspecific inhibitor of topoisomerase II with an IC50 value of 59·2μM

ChemicalCAS33419-42-0MW588.56FormulaC29H32O13
CAS number
33419-42-0
Molecular weight
588.56
Formula
C29H32O13
Solubility
≥ 29·45mg/mL in DMSO
InChIKey
VJJPUSNTGOMMGY-UHFFFAOYSA-N
Catalogue number
GC15617
Brand
GLPBIO
Computed properties PubChem CID 3310 · XLogP 0.6 · TPSA 161 Ų · H-bond donors 3
XLogP
0.6
TPSA
161 Ų
H-bond donors
3
H-bond acceptors
13
Rotatable bonds
5
Heavy atoms
42

SMILES CC1OCC2C(O1)C(C(C(O2)OC3C4COC(=O)C4C(C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O

Computed descriptors from PubChem (CID 3310), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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