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Substance Name: Pyridoxamine phosphate [JAN]
RN: 529-96-4
UNII: Q05R77UO7P
InChIKey: ZMJGSOSNSPKHNH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formulas

  • C8-H13-N2-O5-P
  • C8-H13-N2-O5-P.2H2-O

Molecular Weight

  • 248.1737
 
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Names and Synonyms

Name of Substance

  • Pyridoxamine phosphate
  • Pyridoxamine phosphate [JAN]

Synonyms

  • 4-(Aminomethyl)-5-hydroxy-6-methyl-3-pyridinemethanol alpha-(dihydrogen phosphate)
  • 4-22-00-06065 (Beilstein Handbook Reference)
  • BRN 0233653
  • EINECS 208-471-6
  • Pyridoxamine 5-phosphate
  • Pyridoxamine phosphate
  • Pyridoxamine, 3-(dihydrogen phosphate)
  • Pyridoxamine, dihydrogen phosphate
  • Pyridoxamine-P
  • UNII-Q05R77UO7P

Systematic Names

  • 3-Pyridinemethanol, 4-(aminomethyl)-5-hydroxy-6-methyl-, alpha-(dihydrogen phosphate)
  • 4-Aminomethyl-3-hydroxy-2-methyl-5-((phosphonooxy)methyl)pyridine dihydrate
  • Pyridoxamine phosphate

Registry Numbers

CAS Registry Number

  • 529-96-4

FDA UNII

  • Q05R77UO7P

Related Registry Number

  • 951-83-7 (hydrochloride)

System Generated Number

  • 0000529964

Molecular Formulas

Molecular Formulas

  • C8-H13-N2-O5-P
  • C8-H13-N2-O5-P.2H2-O

Molecular Formula Fragments

  • C8-H13-N2-O5-P
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C8H13N2O5P/c1-5-8(11)7(2-9)6(3-10-5)4-15-16(12,13)14/h3,11H,2,4,9H2,1H3,(H2,12,13,14)

InChIKey

ZMJGSOSNSPKHNH-UHFFFAOYSA-N

Smiles

Cc1c(c(c(cn1)COP(=O)(O)O)CN)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 500mg/kg (500mg/kg)   Drugs in Japan Vol. -, Pg. 895, 1990.
mouse LD50 oral 5800mg/kg (5800mg/kg)   Drugs in Japan Vol. -, Pg. 895, 1990.
mouse LD50 subcutaneous 3700mg/kg (3700mg/kg)   Drugs in Japan Vol. -, Pg. 895, 1990.
rat LD50 intravenous 610mg/kg (610mg/kg)   Drugs in Japan Vol. -, Pg. 895, 1990.
rat LD50 oral > 7500mg/kg (7500mg/kg)   Drugs in Japan Vol. -, Pg. 895, 1990.
rat LD50 subcutaneous 6300mg/kg (6300mg/kg)   Drugs in Japan Vol. -, Pg. 895, 1990.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -1.410 (none)   EST
Water Solubility 1.00E+06 mg/L 25 EST
Vapor Pressure 2.97E-10 mm Hg 25 EST
Henry's Law Constant 3.35E-24 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 7.29E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.