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| CAS No.: | 75172-81-5 |
|---|---|
| Name: | DEOXYGALACTONOJIRIMYCIN, HYDROCHLORIDE |
| Article Data: | 1 |
| Molecular Structure: | |
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| Formula: | C6H14ClNO4 |
| Molecular Weight: | 199.634 |
| Synonyms: | 3,4,5-Piperidinetriol,2-(hydroxymethyl)-, hydrochloride, (2R,3S,4R,5S)- (9CI);3,4,5-Piperidinetriol,2-(hydroxymethyl)-, hydrochloride, [2R-(2a,3a,4a,5b)]-;Migalastat hydrochloride;Galactostatin hydrochloride;(2S,3R,4S,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol hydrochloride; |
| Melting Point: | 260 °C |
| Boiling Point: | 382.7 °C at 760 mmHg |
| Flash Point: | 185.2 °C |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
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Specification
The 3,4,5-Piperidinetriol,2-(hydroxymethyl)-, hydrochloride (1:1), (2R,3S,4R,5S)-, with the CAS registry number 75172-81-5, is also known as Galactostatin hydrochloride. It belongs to the product categories of 13C & 2H Sugars; Carbohydrates & Derivatives; Glycosidase Inhibitors; Inhibitors. This chemical's molecular formula is C6H14ClNO4 and molecular weight is 199.63. What's more, its systematic name is (2S,3R,4S,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol hydrochloride. Its classification code is: Treatment of Fabry disease.
Physical properties of 3,4,5-Piperidinetriol,2-(hydroxymethyl)-, hydrochloride (1:1), (2R,3S,4R,5S)- are: (1)# of Rule of 5 Violations: 1; (2)#H bond acceptors: 5; (3)#H bond donors: 5; (4)#Freely Rotating Bonds: 5; (5)Polar Surface Area: 92.95 Å2; (6)Flash Point: 185.2 °C; (7)Enthalpy of Vaporization: 73 kJ/mol; (8)Boiling Point: 382.7 °C at 760 mmHg; (9)Vapour Pressure: 1.98E-07 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1C(C(C(C(N1)CO)O)O)O.Cl
(2)InChI: InChI=1/C6H13NO4.ClH/c8-2-3-5(10)6(11)4(9)1-7-3;/h3-11H,1-2H2;1H/t3-,4-,5+,6-;/m0./s1
(3)InChIKey: ZJIHMALTJRDNQI-NHYSEZIIBA