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Substance Name: Pyridoxal
RN: 66-72-8
UNII: 3THM379K8A
InChIKey: RADKZDMFGJYCBB-UHFFFAOYSA-N

Note

  • The 4-carboxyaldehyde form of VITAMIN B 6 which is converted to PYRIDOXAL PHOSPHATE which is a coenzyme for synthesis of amino acids, neurotransmitters (serotonin, norepinephrine), sphingolipids, aminolevulinic acid.

Molecular Formula

  • C8-H9-N-O3

Molecular Weight

  • 167.1631
 

Classification Codes

  • Drug / Therapeutic Agent
  • Growth Substances
  • Micronutrients
  • Vitamin B Complex
  • Vitamins
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Names and Synonyms

Name of Substance

  • Pyridoxal

MeSH Heading

  • Pyridoxal

Synonyms

  • 3-Hydroxy-5-hydroxymethyl-2-methyl-4-pyridincarbaldehyd
  • 5-21-13-00044 (Beilstein Handbook Reference)
  • BRN 0383768
  • EINECS 200-630-8
  • NSC 19613
  • Pyridoxal
  • Pyridoxaldehyde
  • UNII-3THM379K8A

Systematic Names

  • 4-Pyridinecarboxaldehyde, 3-hydroxy-5-(hydroxymethyl)-2-methyl-
  • 4-Pyridinecarboxaldehyde, 3-hydroxy-5-(hydroxymethyl)-2-methyl- (9CI)
  • Pyridoxal

Registry Numbers

CAS Registry Number

  • 66-72-8

FDA UNII

  • 3THM379K8A

System Generated Number

  • 0000066728

Structure Descriptors

InChI

1S/C8H9NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,4,10,12H,3H2,1H3

InChIKey

RADKZDMFGJYCBB-UHFFFAOYSA-N

Smiles

c1(c(cnc(c1O)C)CO)C=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 480mg/kg (480mg/kg) BEHAVIORAL: REGIDITY

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: IRRITABILITY
Therapie. Vol. 25, Pg. 539, 1970.
mouse LD50 oral 1120mg/kg (1120mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: REGIDITY

BEHAVIORAL: IRRITABILITY
Therapie. Vol. 25, Pg. 539, 1970.
rat LD50 intraperitoneal 540mg/kg (540mg/kg) BEHAVIORAL: REGIDITY

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: IRRITABILITY
Therapie. Vol. 25, Pg. 539, 1970.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 165 deg C   EXP
log P (octanol-water) 0.450 (none)   EST
Water Solubility 5.00E+05 mg/L   EXP
Vapor Pressure 1.62E-06 mm Hg 25 EST
Henry's Law Constant 1.03E-13 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.69E-11 cm3/molecule-sec 25 EST

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