miglustat   

GtoPdb Ligand ID: 4841

Synonyms: N-butyl-1-deoxynojirimycin | NB-DNJ | Zavesca®
miglustat is an approved drug (EMA (2002), FDA (2003))
Compound class: Synthetic organic
Comment: Marketed formulations may contain miglustat hydrochloride (PubChem CID 71299591).
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 4
Rotatable bonds 4
Topological polar surface area 84.16
Molecular weight 219.15
XLogP -0.2
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CCCCN1CC(O)C(C(C1CO)O)O
Isomeric SMILES CCCCN1C[C@H](O)[C@H]([C@@H]([C@H]1CO)O)O
InChI InChI=1S/C10H21NO4/c1-2-3-4-11-5-8(13)10(15)9(14)7(11)6-12/h7-10,12-15H,2-6H2,1H3/t7-,8+,9-,10-/m1/s1
InChI Key UQRORFVVSGFNRO-UTINFBMNSA-N
Classification
Compound class Synthetic organic
Approved drug? Yes (EMA (2002), FDA (2003))
IUPAC Name
(2R,3R,4R,5S)-1-butyl-2-(hydroxymethyl)piperidine-3,4,5-triol
International Nonproprietary Names
INN number INN
8138 miglustat
Synonyms
N-butyl-1-deoxynojirimycin | NB-DNJ | Zavesca®
Database Links
CAS Registry No. 72599-27-0 (source: Scifinder)
ChEMBL Ligand CHEMBL1029
DrugBank Ligand DB00419
DrugCentral Ligand 1807
GtoPdb PubChem SID 178101543
PubChem CID 51634
RCSB PDB Ligand NBV
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Wikipedia Miglustat