Mij821
6-[(1S)-2-[(3aR,6aS)-5-(2-fluorophenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]pyridin-3-ol
Molecular Identity
Mij821
6-[(1S)-2-[(3aR,6aS)-5-(2-fluorophenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]pyridin-3-ol
PubChem CID: 118981713
2D Structure
Properties
C20H23FN2O3
Molecular Formula
358.40
Molecular Weight
g/mol
358.1693
Exact Mass
Da
2.3
XLogP
Drug-like (Lipinski: < 5)
65.8
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
6
H-Bond Acceptors
454
Complexity
SMILES
Canonical SMILES
SMILES: C1C(CC2C1CN(C2)CC(C3=NC=C(C=C3)O)O)OC4=CC=CC=C4FIsomeric SMILES
SMILES: C1[C@@H]2CN(C[C@@H]2CC1OC3=CC=CC=C3F)C[C@@H](C4=NC=C(C=C4)O)OSynonyms(20)
MIJ821RefChem:818847Onfasprodil1892581-29-1Onfasprodil [INN]C6I8M5AWKPUNII-C6I8M5AWKPNVP-MIJ821-NXMIJ821-NXMIJ-821CAD-9271(alphaS,3aalpha,5alpha,6aalpha)-5-(2-Fluorophenoxy)hexahydro-alpha-(5-hydroxy-2-pyridinyl)cyclopenta(C)pyrrole-2(1H)-ethanol6-((S)-2-((3aR,5R,6aS)-5-(2-Fluorophenoxy)hexahydrocyclopenta[c]pyrrol-2(1H)-yl)-1-hydroxyethyl)pyridin-3-ol6-[(1S)-2-[(3aR,6aS)-5-(2-fluorophenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]pyridin-3-olCyclopenta(C)pyrrole-2(1H)-ethanol, 5-(2-fluorophenoxy)hexahydro-alpha-(5-hydroxy-2-pyridinyl)-, (alphaS,3aalpha,5alpha,6aalpha)-
Data from PubChem (NCBI)
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