Trabodenoson
[(2R,3S,4R,5R)-5-[6-(cyclopentylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl nitrate
Molecular Identity
Trabodenoson
[(2R,3S,4R,5R)-5-[6-(cyclopentylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl nitrate
PubChem CID: 11610599
2D Structure
Properties
C15H20N6O6
Molecular Formula
380.36
Molecular Weight
g/mol
380.1444
Exact Mass
Da
1.3
XLogP
Drug-like (Lipinski: < 5)
160
TPSA
May have limited oral absorption
3
H-Bond Donors
10
H-Bond Acceptors
531
Complexity
SMILES
Canonical SMILES
SMILES: C1CCC(C1)NC2=C3C(=NC=N2)N(C=N3)C4C(C(C(O4)CO[N+](=O)[O-])O)OIsomeric SMILES
SMILES: C1CCC(C1)NC2=C3C(=NC=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO[N+](=O)[O-])O)OSynonyms(20)
Trabodenoson871108-05-3INNO-8875N-Cyclopentyladenosine 5'-nitrateN6-Cyclopentyladenosine 5'-nitrate1T237110W4PJ-875DTXSID90236139trabodenosonumRefChem:933236DTXCID40158630((2R,3S,4R,5R)-5-(6-(cyclopentylamino)-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl)methyl nitrateTrabodenoson [USAN:INN]INNO 8875UNII-1T237110W4
Data from PubChem (NCBI)
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