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Miglustat

C10H21NO4CAS 72599-27-0219.28 g/mol

Open in Covalent MOL file
NOHOHOHHO
AlcoholTertiary amine

Properties

Molecular formula
C10H21NO4
Molar mass
219.28 g/mol
Exact mass
219.1471 Da
logP
-1.45Crippen estimate
Polar surface area
84.2 Ų
H-bond donors / acceptors
4 / 5
Rotatable bonds
4
Stereocentres
S, R, R, Rin SMILES atom order

Identifiers

CAS number
72599-27-0
SMILES
CCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
InChIKey
UQRORFVVSGFNRO-UTINFBMNSA-N
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

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Names and synonyms

17 names · show all
  • 3,4,5-Piperidinetriol, 1-butyl-2-(hydroxymethyl)-, (2R,3R,4R,5S)-
  • 3,4,5-Piperidinetriol, 1-butyl-2-(hydroxymethyl)-, [2R-(2α,3β,4α,5β)]-
  • (2R,3R,4R,5S)-1-Butyl-2-(hydroxymethyl)-3,4,5-piperidinetriol
  • N-Butyl-1-deoxynojirimycin
  • N-Butyldeoxynojirimycin
  • SC 48334
  • N-Butylmoranoline
  • NB-DNJ
  • OGT 918
  • Zavesca
  • Brazaves
  • AT 2221
  • N-Butyl-DNJ
  • (2R,3R,4R,5S)-1-Butyl-2-(hydroxymethyl)piperidine-3,4,5-triol
  • ATB200/AT2221
  • D-NBDNJ
  • Yargesa

Work with Miglustat

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Miglitol72432-03-268 % similar N-Octanoyl-N-methylglucamine85316-98-943 % similar Castanospermine79831-76-842 % similar N-Octylglucamine23323-37-741 % similar Butyldiethanolamine102-79-439 % similar 2-(Dibutylamino)ethanol102-81-839 % similar Phytosphingosine554-62-139 % similar Sorbitol50-70-436 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Aza-15-crown-566943-05-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook