Pudafensine
7-[[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]oxy]-3-methoxychromen-2-one
Molecular Identity
Pudafensine
7-[[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]oxy]-3-methoxychromen-2-one
PubChem CID: 53308741
2D Structure
Properties
C17H19NO4
Molecular Formula
301.34
Molecular Weight
g/mol
301.1314
Exact Mass
Da
2.8
XLogP
Drug-like (Lipinski: < 5)
56.8
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
5
H-Bond Acceptors
465
Complexity
SMILES
Canonical SMILES
SMILES: COC1=CC2=C(C=C(C=C2)OC3CC4CCC(C3)N4)OC1=OIsomeric SMILES
SMILES: COC1=CC2=C(C=C(C=C2)OC3C[C@H]4CC[C@@H](C3)N4)OC1=OSynonyms(19)
pudafensineIP2015IP2015 FREE BASE1320346-14-2NS18313NS-18313Pudafensinapudafensine [INN]IP-2015L9NG7US8GEorb2564633CHEMBL6068030SCHEMBL26989874HY-162511CS-1054102
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Pudafensine
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