1-(5,6-Dihydroxyhexyl)-3,7-dimethylxanthine

Base Information

• Chemical Name: 1-(5,6-Dihydroxyhexyl)-3,7-dimethylxanthine
• CAS No.: 38975-41-6
• Molecular Formula: C13H20N4O4
• Molecular Weight: 296.32
• UNII: QKG09E76XN
• Nikkaji Number: J784.164G

Synonyms:1-(5,6-dihydroxyhexyl)-3,7-dimethylxanthine;Pentoxifylline metabolite M2;QKG09E76XN;UNII-QKG09E76XN;C 21249;38975-41-6;1-(5,6-Dihydroxyhexyl)-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione;1H-Purine-2,6-dione, 1-(5,6-dihydroxyhexyl)-3,7-dihydro-3,7-dimethyl-;SCHEMBL7284106;XMTDKFOBRLKELE-UHFFFAOYSA-N;1-(5,6-Dihydroxyhexyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione

Chemical Property of 1-(5,6-Dihydroxyhexyl)-3,7-dimethylxanthine

Chemical Property:

• XLogP3: -0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 296.14845513
• Heavy Atom Count: 21
• Complexity: 406

Purity/Quality:

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MSDS Files:

Useful:

• Canonical SMILES: CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCC(CO)O

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