Molecular Identity
Deoxynojirimycin
(2R,3R,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol
PubChem CID: 29435
Duvoglustat is an optically active form of 2-(hydroxymethyl)piperidine-3,4,5-triol having 2R,3R,4R,5S-configuration. It has a role as a hypoglycemic agent, a hepatoprotective agent, an anti-HIV agent, an EC 3.2.1.20 (alpha-glucosidase) inhibitor, an anti-obesity agent, a plant metabolite and a bacterial metabolite. It is a piperidine alkaloid and a 2-(hydroxymethyl)piperidine-3,4,5-triol.
2D Structure
Properties
C6H13NO4
Molecular Formula
163.17
Molecular Weight
g/mol
163.0845
Exact Mass
Da
-2.3
XLogP
Drug-like (Lipinski: < 5)
93
TPSA
Good oral absorption (< 140 A²)
5
H-Bond Donors
5
H-Bond Acceptors
132
Complexity
SMILES
Canonical SMILES
SMILES: C1C(C(C(C(N1)CO)O)O)OIsomeric SMILES
SMILES: C1[C@@H]([C@H]([C@@H]([C@H](N1)CO)O)O)OSynonyms(20)
19130-96-2DUVOGLUSTATdeoxynojirimycinMoranolin1,5-Dideoxy-1,5-imino-D-glucitolD-1-deoxynojirimycin1 DeoxynojirimycinNojirimycin, 1-deoxy-BAY-h-55955-Amino-1,5-dideoxy-D-glucopyranose1,5-dideoxy-1,5-imino-FZ56898FLECHEBI:44369DTXSID701726473,4,5-Piperidinetriol, 2-(hydroxymethyl)-, (2R-(2alpha,3beta,4alpha,5beta))-
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Deoxynojirimycin
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