(2R,3R,4R,5S)-1-butyl-2-(hydroxymethyl)piperidine-3,4,5-triol;hydron;chloride
Basic information
- CAS
210110-90-0- Standard SMILES
CCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO.[Cl-].[H+]- InChIKey
QPAFAUYWVZMWPR-ZSOUGHPYSA-N- Molecular formula
- C10H22ClNO4
- Average molar mass
- 255.74 g/mol
- Monoisotopic mass
- 255.1237359
Overview
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Names & identifiers
- Preferred name
- (2R,3R,4R,5S)-1-butyl-2-(hydroxymethyl)piperidine-3,4,5-triol;hydron;chloride
- IUPAC
- (2R,3R,4R,5S)-1-butyl-2-(hydroxymethyl)piperidine-3,4,5-triol;hydron;chloride
- English name
- n-Butyldeoxynojirimycin, hydrochloride
- Molecular formula
- C10H22ClNO4
- Molecular weight
- 255.74
Names & synonyms
(2R,3R,4R,5S)-1-butyl-2-(hydroxymethyl)piperidine-3,4,5-triol;hydron;chlorideNB-DNJ, HCLMiglustat HCl(2R,3R,4R,5S)-N-BUTYL-DNJ, HCLNB-DNJ hydrochlorideOGT918 hydrochlorideZavesca hydrochlorideMiglustat HCl (OGT-918Miglustat, HydrochlorideN-BUTYLDEOXYNOJIRIMYCIN HCL
Database identifiers
- CAS
210110-90-0- PubChem CID
- 657399
Properties
Computed structural properties
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 190
Physicochemical properties
- Melting point
- 169 · 169-172°C
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- Soluble in DMSO (up to 20 mg/ml) or in Water (up to 20 mg/ml)
- form
- White to off-white solid.
- color
- White
- Stability
- 1 year · Stable for 1 year from date of purchase as supplied. Solutions in DMSO or distilled water may be stored at -20°C for up to 1 month.
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi
- HS Code
- 2933399990 · 2933399990
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933399990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
DescriptionMiglustat HCl (210110-90-0) is an orally active ceramide-specific glycosyltransferase and α-glucosidase I and II inhibitor.1 Rescues trafficking-deficient F508del-CFTR in human airway epithelial cells via inhibition of ER α-glucosidases I and II.2 Pharmacological chaperone for glucocerebrosidase degradation.3 Clinically useful agent for Gaucher disease type 1.4 Stabilizes neurological disorders in Niemann-Pick disease type C.5
UsesAn inhibitor of a-glucosidase 1 as well as being an inhibitor of HIV cytopathicity. N-Butyldeoxynojirimycin has recently been used to retard lipid storage in the central nervous system of an animal m odel of Tay-Sachs disease. 1-Deoxynojirimycin derivatives as selective inhibitors of glucosylceramide metabolism in man.
Related reactions
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Compound notes
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