(2R,3R,4R,5S)-1-Butyl-2-(hydroxymethyl)-3,4,5-piperidinetriol

Basic Information

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CAS Number

72599-27-0

Molecular Formula

C10H21NO4

Molecular Weight

255.74 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Melting Point

126-127℃

Boiling Point

394.7°C at 760 mmHg

Density

1.234

Water Solubility

Soluble in water at 10mg/ml

Flash Point

215.4±26.5 °C

Vapor Pressure

0.0±2.1 mmHg at 25°C

Specific Rotation

D25 -15.9° (c = 0.77 in water)

SMILES

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CCCCN1CC(C(C(C1CO)O)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

InChIKey

UQRORFVVSGFNRO-UTINFBMNSA-N

LogP

-1.0325

Topological Polar Surface Area

84.16000000000001 Å²

Hydrogen Bond Donor/Acceptor

4 / 5

Complexity

190

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

MIGLUSTAT (MART.)
N-Bu-DNJ
Zavesca
W-203639
N-(n-butyl)-1,5-dideoxy-1,5-imino-D-glucitol
P16976
3,4,5-Piperidinetriol, 1-butyl-2-(hydroxymethyl)-, (2R-(2alpha,3beta,4alpha,5beta))-
HMS2090N20
SC 48334
Tox21_110830
NCGC00024452-04
OGT 918
BuDNJ
MIGLUSTAT [WHO-DD]
MIGLUSTAT [VANDF]
NBV
A850985
CAS-72599-27-0
Q425911
SR-01000000043-2
SC48334
NCGC00024452-03
NS00003211
N-Butyldeoxynojirimycin
Miglustat [USAN:INN:BAN]
3,4,5-Piperidinetriol, 1-butyl-2-(hydroxymethyl)-,(2R-(2alpha,3beta,4alpha,5beta))-
(2R,3R,4R,5S)-1-Butyl-2-(hydroxymethyl)-3,4,5-piperidinetriol
CHEBI:50381
SR-01000000043
1,5-(BUTYLIMINO)-1,5-DIDEOXY-D-GLUCITOL
MIGLUSTAT [MI]

MDL Number

MFCD00272581

Customs Code

2933399090

FAQ

What is (2R,3R,4R,5S)-1-Butyl-2-(hydroxymethyl)-3,4,5-piperidinetriol (CAS: 72599-27-0)?

(2R,3R,4R,5S)-1-Butyl-2-(hydroxymethyl)-3,4,5-piperidinetriol, also known as 1-butyl-2-(hydroxymethyl)-3,4,5-trihydroxypiperidine, is a chiral organic compound. It has the molecular formula C10H22O4 and is a white or off-white powder. This compound is characterized by its piperidine ring with substituents at specific positions, making it useful in various applications.

What are the main uses of (2R,3R,4R,5S)-1-Butyl-2-(hydroxymethyl)-3,4,5-piperidinetriol (CAS: 72599-27-0)?

(2R,3R,4R,5S)-1-Butyl-2-(hydroxymethyl)-3,4,5-piperidinetriol is predominantly used in the pharmaceutical industry for the synthesis of various drugs, particularly those requiring chiral centers. It is also utilized in the food industry as a flavoring agent and in the cosmetic industry for its potential skin care benefits. Additionally, it has applications in research for studying piperidine derivatives and their biological activities.

Is (2R,3R,4R,5S)-1-Butyl-2-(hydroxymethyl)-3,4,5-piperidinetriol (CAS: 72599-27-0) safe?

The safety of (2R,3R,4R,5S)-1-Butyl-2-(hydroxymethyl)-3,4,5-piperidinetriol depends on the context of use. It is generally considered safe when used appropriately in pharmaceutical and cosmetic applications. However, like many chemicals, it should be handled with caution. Proper protective measures, such as gloves and goggles, should be used to avoid direct contact with skin and eyes. Inhalation or ingestion should be avoided, and appropriate ventilation should be ensured. Storage in a cool, dry place away from direct sunlight and sources of ignition is recommended.

How should (2R,3R,4R,5S)-1-Butyl-2-(hydroxymethyl)-3,4,5-piperidinetriol (CAS: 72599-27-0) be stored?

(2R,3R,4R,5S)-1-Butyl-2-(hydroxymethyl)-3,4,5-piperidinetriol should be stored in a cool, dry place to prevent degradation. It should be kept away from direct sunlight and sources of ignition. The compound should be stored in a tightly closed container made of appropriate material, such as polyethylene or glass, to prevent moisture absorption and contamination. The storage conditions should be maintained at a temperature below 30°C to ensure stability and safety.