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Substance Name: Pyridoxic acid
RN: 82-82-6
UNII: 5K18793O8D
InChIKey: HXACOUQIXZGNBF-UHFFFAOYSA-N

Note

  • The catabolic product of most of VITAMIN B 6; (PYRIDOXINE; PYRIDOXAL; and PYRIDOXAMINE) which is excreted in the urine.

Molecular Formula

  • C8-H9-N-O4

Molecular Weight

  • 183.1621
 

Classification Code

  • Drug / Therapeutic Agent
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Names and Synonyms

Name of Substance

  • Pyridoxic acid

MeSH Heading

  • Pyridoxic acid

Synonyms

  • 2-Methyl-3-hydroxy-4-carboxy-5-hydroxymethylpyridine
  • 3-Hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinecarboxylic acid
  • 3-Hydroxy-5-(hydroxymethyl)-2-methylisonicotinic acid
  • 4-Pyridinecarboxylic acid, 3-hydroxy-5-(hydroxymethyl)-2-methyl-
  • 4-Pyridoxic acid
  • 4-Pyridoxinecarboxylic acid
  • 4-Pyridoxinic acid
  • 4-Pyridoxinsaeure
  • 4-Pyridoxinsaeure [German]
  • 4-Pyridoxylic acid
  • 5-22-05-00379 (Beilstein Handbook Reference)
  • BRN 0384006
  • EINECS 201-440-8
  • NSC 41814
  • UNII-5K18793O8D

Systematic Names

  • 3-Hydroxy-5-(hydroxymethyl)-2-methylisonicotinic acid
  • 4-Pyridinecarboxylic acid, 3-hydroxy-5-(hydroxymethyl)-2-methyl-
  • Isonicotinic acid, 3-hydroxy-5-(hydroxymethyl)-2-methyl-

Registry Numbers

CAS Registry Number

  • 82-82-6

FDA UNII

  • 5K18793O8D

System Generated Number

  • 0000082826

Structure Descriptors

InChI

InChI=1S/C8H9NO4/c1-4-7(11)6(8(12)13)5(3-10)2-9-4/h2,10-11H,3H2,1H3,(H,12,13)

InChIKey

HXACOUQIXZGNBF-UHFFFAOYSA-N

Smiles

Cc1ncc(CO)c(C(=O)O)c1O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 500mg/kg (500mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD		 Arzneimittel-Forschung. Drug Research. Vol. 11, Pg. 922, 1961.
mouse LD50 oral 2900mg/kg (2900mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD		 Arzneimittel-Forschung. Drug Research. Vol. 11, Pg. 922, 1961.
mouse LD50 subcutaneous 2500mg/kg (2500mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: DYSPNEA		 Arzneimittel-Forschung. Drug Research. Vol. 11, Pg. 922, 1961.
rat LD50 intravenous 2050mg/kg (2050mg/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: EXCITEMENT

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD		 Arzneimittel-Forschung. Drug Research. Vol. 11, Pg. 922, 1961.
rat LD50 subcutaneous 5400mg/kg (5400mg/kg) BEHAVIORAL: EXCITEMENT

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD		 Arzneimittel-Forschung. Drug Research. Vol. 11, Pg. 922, 1961.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 247.5 deg C   EXP
pKa Dissociation Constant 5.5 (none)   EXP
log P (octanol-water) -0.070 (none)   EST
Atmospheric OH Rate Constant 1.13E-11 cm3/molecule-sec 25 EST

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