Etoposide Phosphate
[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
Molecular Identity
Etoposide Phosphate
[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
PubChem CID: 6918092
Etoposide phosphate is a furonaphthodioxole.
2D Structure
Properties
C29H33O16P
Molecular Formula
668.50
Molecular Weight
g/mol
668.1506
Exact Mass
Da
-0.7
XLogP
Drug-like (Lipinski: < 5)
207
TPSA
May have limited oral absorption
4
H-Bond Donors
16
H-Bond Acceptors
1140
Complexity
SMILES
Canonical SMILES
SMILES: CC1OCC2C(O1)C(C(C(O2)OC3C4COC(=O)C4C(C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)OP(=O)(O)O)OC)O)OIsomeric SMILES
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)OSynonyms(20)
ETOPOSIDE PHOSPHATE117091-64-2EtopofosEtopophosBMY-40481VepesideEtopophos Preservative FreeBMY 40481528XYJ8L1NBMY-40481-30DTXCID6028571RefChem:56692DTXSID9048645Etoposide 4'-PhosphateEtoposide phosphate [USAN]
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Etoposide Phosphate
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