miniICE
(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]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one;N,3-bis(2-chloroethyl)-2-oxo-1,3,2lambda5-oxazaphosphinan-2-amine;carbanide;cyclobutane-1,1-dicarboxylic acid;platinum(2+)
Molecular Identity
miniICE
(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]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one;N,3-bis(2-chloroethyl)-2-oxo-1,3,2lambda5-oxazaphosphinan-2-amine;carbanide;cyclobutane-1,1-dicarboxylic acid;platinum(2+)
PubChem CID: 56841999
2D Structure
Properties
C44H61Cl2N2O19PPt
Molecular Formula
1218.90
Molecular Weight
g/mol
1217.2631
Exact Mass
Da
277
TPSA
May have limited oral absorption
6
H-Bond Donors
23
H-Bond Acceptors
1360
Complexity
SMILES
Canonical SMILES
SMILES: [CH3-].[CH3-].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.C1CC(C1)(C(=O)O)C(=O)O.C1CN(P(=O)(OC1)NCCCl)CCCl.[Pt+2]Isomeric SMILES
SMILES: [CH3-].[CH3-].C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)OC3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O.C1CC(C1)(C(=O)O)C(=O)O.C1CN(P(=O)(OC1)NCCCl)CCCl.[Pt+2]Synonyms(8)
miniICEPEI regimenICE protocol 3ICE regimen 3ICE regimenICE chemotherapy regimenIfosfamide-Carboplatin-Etoposide regimenC080042000
Data from PubChem (NCBI)
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Drug Network
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