Etoposide toniribate
[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] (2,2-dimethyl-1,3-dioxolan-4-yl)methyl carbonate
Molecular Identity
Etoposide toniribate
[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] (2,2-dimethyl-1,3-dioxolan-4-yl)methyl carbonate
PubChem CID: 101163123
2D Structure
Properties
C36H42O17
Molecular Formula
746.70
Molecular Weight
g/mol
746.2422
Exact Mass
Da
1.4
XLogP
Drug-like (Lipinski: < 5)
195
TPSA
May have limited oral absorption
2
H-Bond Donors
17
H-Bond Acceptors
1300
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Etoposide toniribateProvp-16i433304-61-1A59HL2Q48UUNII-A59HL2Q48UETOPOSIDE TONIRIBATE [INN]((4RS)-2,2-DIMETHYL-1,3-DIOXOLAN-4-YL)METHYL4-((5R,5AR,8AR,9S)-9-((4,6-O-((1R)-ETHANE-1,1-DIYL)-.BETA.-D-GLUCOPYRANOSYL)OXY)-6-OXO-5,5A,6,8,8A,9-HEXAHYDRO-2H-FURO(3',4':6,7)NAPHTHO(2,3-D)(1,3)DIOXOL-5-YL)-2,6-DIMETHOXYPHENYL CARBONATE((4RS)-2,2-Dimethyl-1,3-dioxolan-4-yl)methyl4-((5R,5aR,8aR,9S)-9-((4,6-O-((1R)-ethane-1,1-diyl)-beta-D-glucopyranosyl)oxy)-6-oxo-5,5a,6,8,8a,9-hexahydro-2H-furo(3',4':6,7)naphtho(2,3-d)(1,3)dioxol-5-yl)-2,6-dimethoxyphenyl carbonate(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-isobenzofuro(5,6-f)(1,3)benzodioxol-9-yl)-2,6-dimethoxy-phenyl) (2,2-dimethyl-1,3-dioxolan-4-(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-ISOBENZOFURO(5,6-F)(1,3)BENZODIOXOL-9-YL)-2,6-DIMETHOXY-PHENYL) (2,2-DIMETHYL-1,3-DIOXOLAN-4-YL)METHYL CARBONATECARBONIC ACID, (2,2-DIMETHYL-1,3-DIOXOLAN-4-YL)METHYL 4-((5R,5AR,8AR,9S)-9-((4,6-O-(1R)-ETHYLIDENE-.BETA.-D-GLUCOPYRANOSYL)OXY)-5,5A,6,8,8A,9-HEXAHYDRO-6-OXOFURO(3',4':6,7)NAPHTHO(2,3-D)-1,3-DIOXOL-5-YL)-2,6-DIMETHOXYPHENYL ESTERCarbonic acid, (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 4-((5R,5aR,8aR,9S)-9-((4,6-O-(1R)-ethylidene-beta-D-glucopyranosyl)oxy)-5,5a,6,8,8a,9-hexahydro-6-oxofuro(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-5-yl)-2,6-dimethoxyphenyl esteretoposidi toniribastoniribate d'etoposidetoniribato de etoposido
Data from PubChem (NCBI)
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