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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
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- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
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-NSmiles
Cc1ncc(CO)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.