Arimoclomol
N-[(2R)-2-hydroxy-3-piperidin-1-ylpropoxy]-1-oxidopyridin-1-ium-3-carboximidoyl chloride
Molecular Identity
Arimoclomol
N-[(2R)-2-hydroxy-3-piperidin-1-ylpropoxy]-1-oxidopyridin-1-ium-3-carboximidoyl chloride
PubChem CID: 208924
2D Structure
Properties
C14H20ClN3O3
Molecular Formula
313.78
Molecular Weight
g/mol
313.1193
Exact Mass
Da
1.2
XLogP
Drug-like (Lipinski: < 5)
70.5
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
5
H-Bond Acceptors
337
Complexity
SMILES
Canonical SMILES
SMILES: C1CCN(CC1)CC(CON=C(C2=C[N+](=CC=C2)[O-])Cl)OIsomeric SMILES
SMILES: C1CCN(CC1)C[C@H](CON=C(C2=C[N+](=CC=C2)[O-])Cl)OSynonyms(20)
ArimoclomolArimoclomolum289893-25-0EUT3557RT5BRX-345N-[(2R)-2-hydroxy-3-piperidin-1-ylpropoxy]-1-oxidopyridin-1-ium-3-carboximidoyl chlorideBRX-220 FREE BASEN-((2R)-2-Hydroxy-3-(1-piperidyl)propoxy)pyridine-3-carboximidoyl chloride, 1-oxideDTXCID3031490DTXSID5057701N-((2R)-2-hydroxy-3-piperidin-1-ylpropoxy)-1-oxidopyridin-1-ium-3-carboximidoyl chlorideN-[(2R)-2-Hydroxy-3-(1-piperidyl)propoxy]pyridine-3-carboximidoyl chloride, 1-oxideRefChem:1140223-(chloro((((2R)-2-hydroxy-3-(piperidin-1-yl)propoxy)imino))methyl)pyridin-1-ium-1-olateArimoclomol [INN]
Data from PubChem (NCBI)
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