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41468-25-1

Basic Information
CAS No.: 41468-25-1
Name: Pyridoxal 5-phosphate monohydrate
Molecular Structure:
Molecular Structure of 41468-25-1 (Pyridoxal 5-phosphate monohydrate)
Formula: C8H12NO7P
Molecular Weight: 265.15
Synonyms: 3-Hydroxy-2-methyl-5-((phosphonooxy)methyl)-4-pyridinecarboxaldehyde monohydrate;3-Hydroxy-5-(hydroxymethyl)-2-methylisonicotinaldehyde 5-phosphate monohydrate;Phosphopyridoxal monohydrate;Pyridoxal-5-monophosphoric acid ester monohydrate;UNII-5V5IOJ8338;
EINECS: 200-208-3
Density: N/A
Melting Point: 140-143 °C(lit.)
Boiling Point: 565.7 °C at 760 mmHg
Flash Point: 296 °C
Solubility: 5 g/L (20 °C) in water
Appearance: pale yellowish white crystalline powder
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 24/25-36-26
Transport Information: N/A
PSA: 135.99000
LogP: 0.45310
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    1.Prompt Goods; 2.Flexible payment terms; 3.Documents & Certificate support. Name: 3-hydroxy-2-methyl-5-((phosphonooxy)methyl)-4-pyridinecarboxaldehydemonohydr Molecular Structure: Formula: C8H12NO7P Molecular Weight : 265.16 Synonyms:

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Chemistry

IUPAC Name: (4-Formyl-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate hydrate
Synonyms of 4-Pyridinecarboxaldehyde,3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-, hydrate (1:1) (CAS NO.41468-25-1): 3-Hydroxy-2-methyl-5-((phosphonooxy)methyl)-4-pyridinecarboxaldehyde monohydrate ; 3-Hydroxy-5-(hydroxymethyl)-2-methylisonicotinaldehyde 5-phosphate monohydrate ; Phosphopyridoxal monohydrate ; Pyridoxal-5-monophosphoric acid ester monohydrate ; Pyridoxal-5-phosphate, monohydrate ; Pyridoxyl phosphate monohydrate ; UNII-5V5IOJ8338 ; Pyridoxal, 5-(dihydrogen phosphate), monohydrate
CAS NO: 41468-25-1
Classification Code: Drug / Therapeutic Agent
Molecular Formula: C8H12NO7P
Molecular Weight: 265.1571
Molecular Structure:

Melting Point: 140-143 °C
Product Categories: Biochemistry ; Vitamin Derivatives ; Vitamins 
H bond acceptors: 7
H bond donors: 3
Freely Rotating Bonds: 5
Polar Surface Area: 93.76 Å2
Flash Point of 4-Pyridinecarboxaldehyde,3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-, hydrate (1:1) (CAS NO.41468-25-1): 296 °C
Enthalpy of Vaporization: 89.39 kJ/mol
Boiling Point: 565.7 °C at 760 mmHg
Vapour Pressure: 1.23E-13 mmHg at 25°C

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LD50 intramuscular 250mg/kg (250mg/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 oral 4640mg/kg (4640mg/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 870mg/kg (870mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Arzneimittel-Forschung. Drug Research. Vol. 11, Pg. 922, 1961.
rat LD50 oral 5900mg/kg (5900mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: EXCITEMENT
Arzneimittel-Forschung. Drug Research. Vol. 11, Pg. 922, 1961.
rat LD50 subcutaneous 850mg/kg (850mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: EXCITEMENT
Arzneimittel-Forschung. Drug Research. Vol. 11, Pg. 922, 1961.

Safety Profile

Hazard Codes of 4-Pyridinecarboxaldehyde,3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-, hydrate (1:1) (CAS NO.41468-25-1): IrritantXi
Risk Statements: 36/37/38 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 24/25-36-26 
S24/25: Avoid contact with skin and eyes. 
S36: Wear suitable protective clothing. 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
WGK Germany: 2
RTECS: UV1208000
F: 8-10-23