4-Pyridoxic acid - CAS 82-82-6
Catalog: |
BB036916 |
Product Name: |
4-Pyridoxic acid |
CAS: |
82-82-6 |
Synonyms: |
3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carboxylic acid |
IUPAC Name: | 3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carboxylic acid |
Description: | A metabolite of Pyridoxine. Pyridoxine is a form of vitamin B6 found commonly in food and used as dietary supplement. It can be used to treat and prevent pyridoxine deficiency, sideroblastic anaemia, pyridoxine-dependent epilepsy, certain metabolic disorders, problems from isoniazid, and mushroom poisoning. |
Molecular Weight: | 183.16 |
Molecular Formula: | C8H9NO4 |
Canonical SMILES: | CC1=NC=C(C(=C1O)C(=O)O)CO |
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) |
InChI Key: | HXACOUQIXZGNBF-UHFFFAOYSA-N |
Boiling Point: | 584.5 °C at 760 mmHg |
Melting Point: | >233 °C (dec.) |
Purity: | > 95 % |
Density: | 1.48 g/cm3 |
Solubility: | 4337 mg/L at 25 °C (est) |
Appearance: | Pale beige to pale brownish-yellow solid |
MDL: | MFCD00006334 |
LogP: | 0.28610 |
GHS Hazard Statement: | H315 (97.44%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
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CN-111543299-A | Dendrobium tissue culture medium and application thereof | 20200525 |
CN-111487339-A | Method for evaluating regional population number based on concentration of 4-pyridoxic acid in sewage | 20200422 |
PMID | Publication Date | Title | Journal |
24709313 | 20140528 | Metabolomic analysis of biochemical changes in the plasma and urine of collagen-induced arthritis in rats after treatment with Huang-Lian-Jie-Du-Tang | Journal of ethnopharmacology |
22647618 | 20120801 | Epilepsy as a pyridoxine-dependent condition: quantified urinary biomarkers for status evaluation and monitoring antiepileptic treatment | Medical hypotheses |
22732169 | 20120701 | Vitamin B6 vitamer concentrations in cerebrospinal fluid differ between preterm and term newborn infants | Pediatrics |
22133652 | 20120301 | Disturbance of B-vitamin status in people with type 2 diabetes in Indonesia--link to renal status, glycemic control and vascular inflammation | Diabetes research and clinical practice |
22288928 | 20120201 | Type 1 diabetes impairs vitamin B(6) metabolism at an early stage of women's adulthood | Applied physiology, nutrition, and metabolism = Physiologie appliquee, nutrition et metabolisme |
Complexity: | 197 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 183.05315777 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 183.05315777 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 90.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.1 |
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