Pentoxifylline EP Impurity J
Grundinformationen
- CAS
874747-30-5- Standard-SMILES
C/C(=C\C(=O)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O- InChIKey
JZAQVESYNLRDBT-SAPNQHFASA-N- Summenformel
- C26H34N8O5
- Durchschnittliche Molmasse
- 538,6 g/mol
- Monoisotopische Masse
- 538,26521621
Namen und Bezeichner
- Bevorzugter Name
- Pentoxifylline EP Impurity J
- IUPAC
- 1-[(E)-11-(3,7-dimethyl-2,6-dioxopurin-1-yl)-5-methyl-7-oxoundec-5-enyl]-3,7-dimethylpurine-2,6-dione
- Englischer Name
- 1,1'-[(5E)-5-Methyl-7-oxo-5-undecene-1,11-diyl] Bis
- Summenformel
- C26H34N8O5
- Molmasse
- 538.6
Namen und Synonyme
874747-30-5Pentoxifylline EP Impurity J(E)-1,1'-(5-methyl-7-oxoundec-5-ene-1,11-diyl)bis(3,7-dimethyl-1H-purine-2,6(3H,7H)-dione)1-[(E)-11-(3,7-dimethyl-2,6-dioxopurin-1-yl)-5-methyl-7-oxoundec-5-enyl]-3,7-dimethylpurine-2,6-dione1,1'-[(5E)-5-Methyl-7-oxo-5-undecene-1,11-diyl] Bis[Theobromine]B069A9P6JN(E)-1,1'-(5-Methyl-7-oxoundec-5-ene-1,11-diyl)bis(3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione)1,1'-[(5E)-5-Methyl-7-oxoundec-5-ene-1,11-diyl]bis(3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione)1-((5E)-11-(3,7-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)-5-methyl-7-oxoundec-5-enyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-1-((5E)-5-methyl-7-oxo-11-(2,3,6,7-tetrahydro-3,7-dimethyl-2,6-dioxo-1H-purin-1-yl)-5-undecen-1-yl)-3,7-Dihydro-3,7-dimethyl-1-((5E)-5-methyl-7-oxo-11-(2,3,6,7-tetrahydro-3,7-dimethyl-2,6-dioxo-1H-purin-1-yl)-5-undecen-1-yl)-1H-purine-2,6-dioneTenofovir Impurity 317
Weitere Namen anzeigen
Pentoxifylline Impurity JPentoxiflline EP Impurity J
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,3
- Polarare Oberfläche (TPSA)
- 134 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 7
- Frei drehbare Bindungen
- 11
- Schwere Atome
- 39
- Formalladung
- 0
- Komplexität
- 1.030
Physikochemische Eigenschaften
- Siedepunkt
- 826.7 · 826.7±75.0 °C(Predicted)
- Dichte
- 1.37 · 1.37±0.1 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- 0.51 · 0.51±0.70(Predicted)
- InChIKey
- JZAQVESYNLRDBT-SAPNQHFASA-N
- SMILES
- N1(C)C2=C(N(C)C(=O)N(CCCC/C(/C)=C/C(=O)CCCCN3C(=O)C4=C(N(C)C3=O)N=CN4C)C2=O)N=C1
Chemie und Industrie
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