Fexuprazan
1-[5-(2,4-difluorophenyl)-1-(3-fluorophenyl)sulfonyl-4-methoxypyrrol-3-yl]-N-methylmethanamine
Molecular Identity
Fexuprazan
1-[5-(2,4-difluorophenyl)-1-(3-fluorophenyl)sulfonyl-4-methoxypyrrol-3-yl]-N-methylmethanamine
PubChem CID: 122662112
2D Structure
Properties
C19H17F3N2O3S
Molecular Formula
410.40
Molecular Weight
g/mol
410.0912
Exact Mass
Da
3.2
XLogP
Drug-like (Lipinski: < 5)
68.7
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
7
H-Bond Acceptors
618
Complexity
SMILES
Canonical SMILES
SMILES: CNCC1=CN(C(=C1OC)C2=C(C=C(C=C2)F)F)S(=O)(=O)C3=CC=CC(=C3)FIsomeric SMILES
SMILES: CNCC1=CN(C(=C1OC)C2=C(C=C(C=C2)F)F)S(=O)(=O)C3=CC=CC(=C3)FSynonyms(20)
AbeprazanFexuprazan1902954-60-2DWP14012DWP-14012BE52S2C1QT5-(2,4-Difluorophenyl)-1-((3-fluorophenyl)sulfonyl)-4-methoxy-N-methyl-1H-pyrrole-3-methanamine1H-Pyrrole-3-methanamine, 5-(2,4-difluorophenyl)-1-((3-fluorophenyl)sulfonyl)-4-methoxy-N-methyl-fexuprazanumRefChem:140357Abeprazan [INN]FEXUPRAZAN [INN]1-(5-(2,4-Difluorophenyl)-1-((3-fluorophenyl)sulfonyl)-4-methoxy-1H-pyrrol-3-yl)-N-methylmethanamineUNII-BE52S2C1QT1-[5-(2,4-difluorophenyl)-1-(3-fluorophenyl)sulfonyl-4-methoxypyrrol-3-yl]-N-methylmethanamine
Data from PubChem (NCBI)
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