Istradefylline
8-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-diethyl-7-methylpurine-2,6-dione
Molecular Identity
Istradefylline
8-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-diethyl-7-methylpurine-2,6-dione
PubChem CID: 5311037
Istradefylline is an oxopurine.
2D Structure
Properties
C20H24N4O4
Molecular Formula
384.40
Molecular Weight
g/mol
384.1798
Exact Mass
Da
2.5
XLogP
Drug-like (Lipinski: < 5)
76.9
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
5
H-Bond Acceptors
613
Complexity
SMILES
Canonical SMILES
SMILES: CCN1C2=C(C(=O)N(C1=O)CC)N(C(=N2)C=CC3=CC(=C(C=C3)OC)OC)CIsomeric SMILES
SMILES: CCN1C2=C(C(=O)N(C1=O)CC)N(C(=N2)/C=C/C3=CC(=C(C=C3)OC)OC)CSynonyms(20)
Istradefylline155270-99-8KW-6002nouriastNourianzKW 60028-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-diethyl-7-methylpurine-2,6-dioneistradefilinaDTXSID70576522GZ0LIK7T4(E)-8-(3,4-Dimethoxystyryl)-1,3-diethyl-7-methyl-3,7-dihydro-1H-purine-2,6-dioneDTXCID8031441istradefyllinum8-((E)-2-(3,4-dimethoxyphenyl)ethenyl)-1,3-diethyl-7-methylpurine-2,6-dioneRefChem:57357
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Istradefylline
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