Solifenacin
[(3R)-1-azabicyclo[2.2.2]octan-3-yl] (1S)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
Molecular Identity
Solifenacin
[(3R)-1-azabicyclo[2.2.2]octan-3-yl] (1S)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
PubChem CID: 154059
Solifenacin is a member of isoquinolines.
2D Structure
Properties
C23H26N2O2
Molecular Formula
362.50
Molecular Weight
g/mol
362.1994
Exact Mass
Da
4
XLogP
Drug-like (Lipinski: < 5)
32.8
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
3
H-Bond Acceptors
524
Complexity
SMILES
Canonical SMILES
SMILES: C1CN2CCC1C(C2)OC(=O)N3CCC4=CC=CC=C4C3C5=CC=CC=C5Isomeric SMILES
SMILES: C1CN2CCC1[C@H](C2)OC(=O)N3CCC4=CC=CC=C4[C@@H]3C5=CC=CC=C5Synonyms(20)
Solifenacin242478-37-1solifenacineSolifenacinaA8910SQJ1U[(3R)-1-azabicyclo[2.2.2]octan-3-yl] (1S)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylateNSC-759144DTXSID3048289(3R)-1-azabicyclo[2.2.2]octan-3-yl (1S)-1-phenyl-1,2,3,4-tetrahydroisoquinoline-2-carboxylate((8r)-1-azabicyclo(2.2.2)octan-8-yl) (1s)-1-phenyl-3,4-dihydro-1h-isoQUINOLINE-2-carboxylate2(1H)-Isoquinolinecarboxylic acid, 3,4-dihydro-1-phenyl-,1-azabicyclo(2.2.2)oct-3-yl ester, (R-(R*,S*))-solifenacinum((3R)-1-azabicyclo(2.2.2)octan-3-yl) (1S)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate(3R)-1-azabicyclo(2.2.2)octan-3-yl (1S)-1-phenyl-1,2,3,4-tetrahydroisoquinoline-2-carboxylate[(8R)-1-azabicyclo[2.2.2]octan-8-yl] (1S)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
Data from PubChem (NCBI)
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Drug Network
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