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
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
ChemSpider
5936
ChEBI
131529
ChEMBL
CHEMBL543846
Wikipedia
Pyridoxal
Predicted Properties
PropertyValueSource
Water Solubility11.7 mg/mLALOGPS
logP0.02ALOGPS
logP0.18Chemaxon
logS-1.2ALOGPS
pKa (Strongest Acidic)7.97Chemaxon
pKa (Strongest Basic)4.11Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area70.42 Å2Chemaxon
Rotatable Bond Count2Chemaxon
Refractivity43.87 m3·mol-1Chemaxon
Polarizability16.28 Å3Chemaxon
Number of Rings1Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon