Apadenoson
methyl 4-[3-[6-amino-9-[(2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]prop-2-ynyl]cyclohexane-1-carboxylate
Molecular Identity
Apadenoson
methyl 4-[3-[6-amino-9-[(2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]prop-2-ynyl]cyclohexane-1-carboxylate
PubChem CID: 9805430
2D Structure
Properties
C23H30N6O6
Molecular Formula
486.50
Molecular Weight
g/mol
486.2227
Exact Mass
Da
0.8
XLogP
Drug-like (Lipinski: < 5)
175
TPSA
May have limited oral absorption
4
H-Bond Donors
10
H-Bond Acceptors
839
Complexity
SMILES
Canonical SMILES
SMILES: CCNC(=O)C1C(C(C(O1)N2C=NC3=C(N=C(N=C32)C#CCC4CCC(CC4)C(=O)OC)N)O)OIsomeric SMILES
SMILES: CCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=C(N=C32)C#CCC4CCC(CC4)C(=O)OC)N)O)OSynonyms(20)
Apadenoson250386-15-3StedivazeATL 146eDWH 146eDWH-146eBMS068645Apadenoson [USAN:INN]UNII-BTS1Y6777MBMS-068645BTS1Y6777MBMS 068645CHEMBL1950649ATL-146eApadenoson (USAN)
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Apadenoson
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