Pyridoxal hydrochlorideProduct ingredient for Pyridoxal
- Name
- Pyridoxal hydrochloride
- Drug Entry
- Pyridoxal
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. [PubChem]
- Accession Number
- DBSALT001795
- Structure
Structure for Pyridoxal hydrochloride (DBSALT001795)
- Synonyms
- 3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinecarboxaldehyde hydrochloride / Pyridoxal HCl
- UNII
- 1416KF0QBC
- CAS Number
- 65-22-5
- Weight
- Average: 203.62
Monoisotopic: 203.0349209 - Chemical Formula
- C8H10ClNO3
- InChI Key
- FCHXJFJNDJXENQ-UHFFFAOYSA-N
- InChI
- InChI=1S/C8H9NO3.ClH/c1-5-8(12)7(4-11)6(3-10)2-9-5;/h2,4,10,12H,3H2,1H3;1H
- IUPAC Name
- 3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carbaldehyde hydrochloride
- SMILES
- Cl.CC1=NC=C(CO)C(C=O)=C1O
- External Links
- ChemSpider
- 5936
- ChEBI
- 131529
- ChEMBL
- CHEMBL543846
- Wikipedia
- Pyridoxal
- Predicted Properties
Property Value Source Water Solubility 11.7 mg/mL ALOGPS logP 0.02 ALOGPS logP 0.18 Chemaxon logS -1.2 ALOGPS pKa (Strongest Acidic) 7.97 Chemaxon pKa (Strongest Basic) 4.11 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 70.42 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 43.87 m3·mol-1 Chemaxon Polarizability 16.28 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon