1,1'-Ethane-1,2-diylbis(3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione)

Base Information

• Chemical Name: 1,1'-Ethane-1,2-diylbis(3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione)
• CAS No.: 97980-46-6
• Molecular Formula: C16H18N8O4
• DSSTox Substance ID: DTXSID30361555
• Wikidata: Q27459039
• ChEMBL ID: CHEMBL1232048

Synonyms:1,1'-ETHANE-1,2-DIYLBIS(3,7-DIMETHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE);97980-46-6;CHEMBL1232048;Bisdionin B;2iuz;B I Koffein;1-(2-(THEOBROMINE-1-YL)ETHYL)-BROMINE;Oprea1_512185;D1H;DTXSID30361555;BDBM50388141;CCG-22630;STL560623;AKOS001715542;1-[2-(3,7-dimethyl-2,6-dioxopurin-1-yl)ethyl]-3,7-dimethylpurine-2,6-dione;Q27459039;1,1'-(ethane-1,2-diyl)bis(3,7-dimethyl-1H-purine-2,6(3H,7H)-dione)

Chemical Property of 1,1'-Ethane-1,2-diylbis(3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione)

Chemical Property:

• XLogP3: -0.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 386.14510109
• Heavy Atom Count: 28
• Complexity: 671

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C=NC2=C1C(=O)N(C(=O)N2C)CCN3C(=O)C4=C(N=CN4C)N(C3=O)C

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