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| CAS No.: | 524-36-7 |
|---|---|
| Name: | Pyridoxamine dihydrochloride |
| Molecular Structure: | |
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| Formula: | C8H14Cl2N2O2 |
| Molecular Weight: | 241.117 |
| Synonyms: | 3-Pyridinemethanol,4-(aminomethyl)-5-hydroxy-6-methyl-, dihydrochloride (9CI);Pyridoxamine,dihydrochloride (8CI);2-Methyl-3-hydroxy-4-aminomethyl-5-hydroxymethylpyridinedihydrochloride;4-(Aminomethyl)-5-hydroxy-6-methyl-3-pyridinemethanoldihydrochloride;Pyridorin;Pyridoxylaminedihydrochloride;3-Pyridinemethanol, 4- (aminomethyl)-5-hydroxy-6-methyl-, dihydrochloride;3-Pyridinemethanol, 4-(aminomethyl)-5-hydroxy-6-methyl-, dihydrochloride (9CI);3-pyridinemethanol, 4-(aminomethyl)-5-hydroxy-6-methyl-, hydrochloride (1:2); |
| EINECS: | 208-357-6 |
| Density: | 1.282g/cm3 |
| Melting Point: | 224-226°C (dec.)(lit.) |
| Boiling Point: | 460.1 °C at 760 mmHg |
| Flash Point: | 232.1 °C |
| Solubility: | Soluble in DMSO, water, or methanol /n |
| Appearance: | White crystalline powder |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 79.37000 |
| LogP: | 2.35090 |
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2-Methyl-3-hydroxy-4-formyl-5-hydroxymethylpyridine oxime
- 524-36-7
pyridoxamine dihydrochloride
| Conditions | Yield |
|---|---|
| With hydrogenchloride; hydrogen; palladium on activated charcoal In methanol for 0.916667h; | 95.2% |
- 524-36-7
pyridoxamine dihydrochloride
| Conditions | Yield |
|---|---|
| With hydrogenchloride In methanol at 39 - 48℃; for 10 - 16h; Heating / reflux; Industry scale; | 91% |
- 408335-89-7
2-methyl-3-hydroxy-4-cyano-5-acetyloxymethyl-pyridine
- 524-36-7
pyridoxamine dihydrochloride
| Conditions | Yield |
|---|---|
| With hydrogenchloride; hydrogen; 5%-palladium/activated carbon In methanol; water at 20℃; under 760.051 Torr; | 83% |
| With hydrogenchloride; 5%-palladium/activated carbon; hydrogen In methanol; water at 20℃; | 83% |
| With hydrogenchloride; 5%-palladium/activated carbon; hydrogen In methanol; water at 20℃; under 760.051 Torr; | 83% |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 1.) MnO2, 0.3 M H2SO4, 2.) NH2OH*HCl / 1.) 5 h, 2.) 70 deg C, 10 min 2: 95.2 percent / HCl, H2 / 5percent Pd/C / methanol / 0.92 h View Scheme |
- 863030-57-3
C20H18N2O6
- 524-36-7
pyridoxamine dihydrochloride
| Conditions | Yield |
|---|---|
| Stage #1: C20H18N2O6 With propylamine In tetrahydrofuran at 50 - 70℃; for 18 - 20h; Gabriel Synthesis; Stage #2: With hydrogenchloride In methanol; isopropyl alcohol at 45 - 65℃; for 5 - 8h; |
- 24424-99-5
di-tert-butyl dicarbonate
- 524-36-7
pyridoxamine dihydrochloride
- 176754-73-7
Carbonic acid 4-(tert-butoxycarbonylamino-methyl)-5-hydroxymethyl-2-methyl-pyridin-3-yl ester tert-butyl ester
| Conditions | Yield |
|---|---|
| With sodium hydroxide In 1,4-dioxane at 0 - 25℃; for 12h; pH 9.5; | 100% |
| Conditions | Yield |
|---|---|
| With sodium hydroxide In water pH=9; | 100% |
| With sodium hydrogencarbonate In water | 87% |
- 24424-99-5
di-tert-butyl dicarbonate
- 524-36-7
pyridoxamine dihydrochloride
- 210034-86-9
(3-hydroxy-5-hydroxymethyl-2-methylpyridin-4-yl)methylcarbamic acid tert-butyl ester
| Conditions | Yield |
|---|---|
| With triethylamine In methanol; dichloromethane at 20℃; for 2h; | 95% |
| Conditions | Yield |
|---|---|
| Stage #1: pyridoxamine dihydrochloride With potassium hydroxide In methanol for 0.5h; pH=Ca. 9; Stage #2: salicylaldehyde In methanol; chloroform at 50℃; for 3h; | 91% |
- 524-36-7
pyridoxamine dihydrochloride
- 1198-25-0
2-methyl-3-hydroxy-4-(aminomethyl)-5-(bromomethyl)pyridine dihydrobromide
| Conditions | Yield |
|---|---|
| With hydrogen bromide for 0.75h; Heating; | 87% |
| With hydrogen bromide for 2h; Heating; | 81% |
| With hydrogen bromide | |
| With hydrogen bromide |
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Specification
The Pyridoxamine dihydrochloride, with the CAS registry number 524-36-7 and EINECS registry number 208-357-6, has the systematic name of 4-(aminomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol dihydrochloride. And the molecular formula of this chemical is C8H14Cl2N2O2. It is a kind of white crystalline powder, and belongs to the following product categories: Aromatics Compounds; Pyridinium Compounds; Vitamins and derivatives; Aromatics; Bases & Related Reagents; Nucleotides. What's more, it should be stored at -20°C.
The physical properties of Pyridoxamine dihydrochloride are as following: (1)ACD/LogP: -1.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.16; (4)ACD/LogD (pH 7.4): -1.92; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 34.59 Å2; (13)Flash Point: 232.1 °C; (14)Enthalpy of Vaporization: 75.94 kJ/mol; (15)Boiling Point: 460.1 °C at 760 mmHg; (16)Vapour Pressure: 2.92E-09 mmHg at 25°C.
Preparation and uses of Pyridoxamine dihydrochloride: The preparation can start from the oxidation of pyridoxine hydrochloride with manganese dioxide. And then after a series of condensation and reduction you can get the desired product. What's more, it is used in the biochemical study and nutrition research.
You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: Cl.Cl.Oc1c(c(cnc1C)CO)CN
(2)InChI: InChI=1/C8H12N2O2.2ClH/c1-5-8(12)7(2-9)6(4-11)3-10-5;;/h3,11-12H,2,4,9H2,1H3;2*1H
(3)InChIKey: HNWCOANXZNKMLR-UHFFFAOYAB
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| cat | LD50 | intravenous | 540mg/kg (540mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" | Arzneimittel-Forschung. Drug Research. Vol. 11, Pg. 922, 1961. |
| cat | LD50 | oral | > 1gm/kg (1000mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" | Arzneimittel-Forschung. Drug Research. Vol. 11, Pg. 922, 1961. |
| mouse | LD50 | intravenous | 590mg/kg (590mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Arzneimittel-Forschung. Drug Research. Vol. 11, Pg. 922, 1961. |
| mouse | LD50 | oral | 5100mg/kg (5100mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Arzneimittel-Forschung. Drug Research. Vol. 11, Pg. 922, 1961. |
| mouse | LD50 | subcutaneous | 2950mg/kg (2950mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Arzneimittel-Forschung. Drug Research. Vol. 11, Pg. 922, 1961. |
| pigeon | LD50 | intravenous | 795mg/kg (795mg/kg) | BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Arzneimittel-Forschung. Drug Research. Vol. 11, Pg. 922, 1961. |
| rabbit | LD50 | intravenous | 700mg/kg (700mg/kg) | PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Arzneimittel-Forschung. Drug Research. Vol. 11, Pg. 922, 1961. |
| rat | LD50 | intravenous | 800mg/kg (800mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: EXCITEMENT | Arzneimittel-Forschung. Drug Research. Vol. 11, Pg. 922, 1961. |
| rat | LD50 | oral | 7500mg/kg (7500mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: EXCITEMENT | Arzneimittel-Forschung. Drug Research. Vol. 11, Pg. 922, 1961. |
| rat | LD50 | subcutaneous | 4720mg/kg (4720mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: EXCITEMENT | Arzneimittel-Forschung. Drug Research. Vol. 11, Pg. 922, 1961. |