Pyridoxal phosphate

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Names

[ CAS No. ]:
54-47-7

[ Name ]:
Pyridoxal phosphate

[Synonym ]:
Pyridoxal-5-monophosphate
(4-Formyl-5-hydroxy-6-methyl-3-pyridinyl)methyl dihydrogen phosphate
Phosphate, Pyridoxal
(4-Formyl-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate
(4-Formyl-5-hydroxy-6-methyl-3-pyridinyl)methyldihydrogen-phosphat
Aderoxal
EINECS 200-208-3
Pyridoxal phosphate (6CI)
(4-Formyl-5-hydroxy-6-methylpyridin-3-yl)methyldihydrogen-phosphat
Vitamin B6 phosphate
Pyridoxal 5-phosphate
Pyridoxal phosphate
MFCD00006333
4-Pyridinecarboxaldehyde, 3-hydroxy-2-methyl-5-[ (phosphonooxy)methyl]-
Pyridoxyl phosphate
Pyridoxal 5'-phosphic acid
Isonicotinaldehyde, 3-hydroxy-5-(hydroxymethyl)-2-methyl-, 5-(dihydrogen phosphate)
4-Pyridinecarboxaldehyde, 3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-
3-Hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinecarboxaldehyde

Chemical & Physical Properties

[ Density]:
1.6±0.1 g/cm3

[ Boiling Point ]:
565.7±60.0 °C at 760 mmHg

[ Melting Point ]:
140-143ºC

[ Molecular Formula ]:
C8H10NO6P

[ Molecular Weight ]:
247.142

[ Flash Point ]:
296.0±32.9 °C

[ Exact Mass ]:
247.024567

[ PSA ]:
126.76000

[ LogP ]:
-0.52

[ Vapour Pressure ]:
0.0±1.6 mmHg at 25°C

[ Index of Refraction ]:
1.641

[ Storage condition ]:
−20°C

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UV1207000
CHEMICAL NAME :
Pyridoxal, 5-(dihydrogen phosphate)
CAS REGISTRY NUMBER :
54-47-7
LAST UPDATED :
199701
DATA ITEMS CITED :
11
MOLECULAR FORMULA :
C8-H10-N-O6-P
MOLECULAR WEIGHT :
247.16
WISWESSER LINE NOTATION :
T6NJ B1 CQ DVH E1OPQQO

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
5900 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
850 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
4640 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
870 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
530 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intramuscular
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1150 mg/kg
TOXIC EFFECTS :
Behavioral - antipsychotic
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - species unspecified
DOSE/DURATION :
>3 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Mammal - species unspecified
DOSE/DURATION :
550 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value

MUTATION DATA

TYPE OF TEST :
DNA damage
TEST SYSTEM :
Bacteria - Escherichia coli
DOSE/DURATION :
50 umol/L
REFERENCE :
FEPRA7 Federation Proceedings, Federation of American Societies for Experimental Biology. (Bethesda, MD) V.1-46, 1942-87. Volume(issue)/page/year: 34,530,1975 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X3949 No. of Facilities: 577 (estimated) No. of Industries: 2 No. of Occupations: 5 No. of Employees: 5538 (estimated) No. of Female Employees: 3978 (estimated)

Safety Information

[ Safety Phrases ]:
22-24/25

[ WGK Germany ]:
3

[ HS Code ]:
2936250000

Synthetic Route

Precursor & DownStream

Precursor

  • pyridoxamine phosphate
  • pyridoxine 5'-phosphate
  • pyridoxal
  • Pyridoxamine dihydrochloride
  • Pyridoxine hydrochloride
  • (S)-(4-(((1-(dodecylamino)-1-oxopropan-2-yl)imino)methyl)-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate
  • pyridoxal benzoyl hydrazone
  • (4-((hexylimino)methyl)-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate

DownStream

  • pyridoxamine phosphate
  • ch3cho
  • Pyruvic acid
  • pyridoxine 5'-phosphate
  • hydrogen sulfide
  • Ammonia
  • 1-(2-methyl-3-hydroxy-5-hydroxymethyl-4-pyridyl)-6,7-dihydroxy-1,2-3,4-tetrahydroisoquinoline
  • 4-pyridoxic acid 5'-phosphate
  • bis-(3-hydroxy-2-methyl-5-phosphonooximethyl-[4]pyridyl)-ethanedione
  • (5-hydroxy-6-methyl-4-oxo-1H-pyridin-3-yl)methyl dihydrogen phosphate

Customs

[ HS Code ]: 2933399090

[ Summary ]:
2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%


Related Compounds

  • Pyridoxal phosphate
  • pyridoxal phosphate
  • Pyridoxal phosphate-d5
  • Pyridoxal Phosphate-d3
  • Pyridoxal phosphate GABA
  • buflomedil pyridoxal phosphate