Nizubaglustat
(2S,3R,4R,5S)-1-[5-[(3-fluoro-4-phenylphenyl)methoxy]pentyl]-2-(hydroxymethyl)piperidine-3,4,5-triol
Molecular Identity
Nizubaglustat
(2S,3R,4R,5S)-1-[5-[(3-fluoro-4-phenylphenyl)methoxy]pentyl]-2-(hydroxymethyl)piperidine-3,4,5-triol
PubChem CID: 101882900
2D Structure
Properties
C24H32FNO5
Molecular Formula
433.50
Molecular Weight
g/mol
433.2265
Exact Mass
Da
2.3
XLogP
Drug-like (Lipinski: < 5)
93.4
TPSA
Good oral absorption (< 140 A²)
4
H-Bond Donors
7
H-Bond Acceptors
506
Complexity
SMILES
Canonical SMILES
SMILES: C1C(C(C(C(N1CCCCCOCC2=CC(=C(C=C2)C3=CC=CC=C3)F)CO)O)O)OIsomeric SMILES
SMILES: C1[C@@H]([C@H]([C@@H]([C@@H](N1CCCCCOCC2=CC(=C(C=C2)C3=CC=CC=C3)F)CO)O)O)OSynonyms(20)
Nizubaglustat1633666-49-52X6NHN9RRNRefChem:1092482CHEMBL3354637(2S,3R,4R,5S)-1-[5-[(3-Fluoro-4-phenylphenyl)methoxy]pentyl]-2-(hydroxymethyl)piperidine-3,4,5-triolAZ-3102nizubaglustat [INN]Nizubaglustat (USAN/INN)NIZUBAGLUSTAT [USAN]SCHEMBL17132922GTPL13906GLXC-27895AZ3102BDBM50028257
Data from PubChem (NCBI)
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