Pyridoxine hydrochloride - PharmPure™, USP, Moligand™ , CAS No.58-56-0

CAS: 58-56-0 Cat. No.: P432997 Molecular Weight: 205.64 Beilstein Registry Number: 3632435 EC Number: 200-386-2 PubChem CID: 6019

GRADE & PURITY PharmPure™, USP, Moligand™

Synonyms

Paxadon | PYRIDOXINE HYDROCHLORIDE [USP-RS] | Pyridoxol (hydrochloride);Vitamin B6 (hydrochloride) | Pyridoxol (hydrochloride) | Alestrol | Beesix | PYRIDOXINE HYDROCHLORIDE [USP MONOGRAPH] | Pyridoxine hydrogen chloride | Adermine hydrochloride | Hexabio

Storage

Room temperature

Overview

Vitamin B group is water-soluble and exists in six forms namely the pyridoxal, pyridoxine, pyridoxamine, pyridoxamine 5′-phosphate, pyridoxine 5′-phosphate and pyridoxal 5′-phosphate. The food sources of vitamin B 6 include grains, nuts, fruits, vegetables and meat.

Application

Pyridoxine hydrochloride has been used to test its neuroprotective functionality in traumatic brain injury (TBI) rats. It has also been used as a reference standard to quantify vitamin B 6 in feed and digesta samples using high-performance liquid chromatography(HPLC).

Specifications

Synonyms

Paxadon | PYRIDOXINE HYDROCHLORIDE [USP-RS] | Pyridoxol (hydrochloride);Vitamin B6 (hydrochloride) | Pyridoxol (hydrochloride) | Alestrol | Beesix | PYRIDOXINE HYDROCHLORIDE [USP MONOGRAPH] | Pyridoxine hydrogen chloride | Adermine hydrochloride | Hexabio

Specifications & Purity

PharmPure™, USP, Moligand™

Biochemical and Physiological Mechanisms

Pyridoxine plays a key role in metabolism both carbohydrates and amino acids. It supports brain development and its deficiency levels may lead to depletion of γ-aminobutyric acid (GABA) levels. Pyridoxine catalyzes the neurotransmitter biosynthesis like d

Storage

Room temperature

Grade

Moligand™, PharmPure™, USP

Names and Identifiers

• Pubchem Sid: 504750985
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504750985
• Canonical Smiles: CC1=NC=C(C(=C1O)CO)CO.Cl
• IUPAC Name: 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride
• InChIKey: ZUFQODAHGAHPFQ-UHFFFAOYSA-N
• INCHI: 1S/C8H11NO3.ClH/c1-5-8(12)7(4-11)6(3-10)2-9-5;/h2,10-12H,3-4H2,1H3;1H
• Isomeric SMILES: CC1=NC=C(C(=C1O)CO)CO.Cl
• WGK Germany: 2
• RTECS: UV1350000
• Alternate CAS: 65-23-6
• PubChem CID: 6019
• Molecular Weight: 205.64
• Beilstein: 3632435

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyridines and derivatives
      • Subclass Pyridoxines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Pyridoxines
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridoxines
• Alternative Parents: Methylpyridines Hydroxypyridines Heteroaromatic compounds Azacyclic compounds Primary alcohols Organopnictogen compounds Organonitrogen compounds Hydrochlorides Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridoxine - Hydroxypyridine - Methylpyridine - Heteroaromatic compound - Azacycle - Hydrocarbon derivative - Organic oxygen compound - Alcohol - Hydrochloride - Aromatic alcohol - Organic nitrogen compound - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyridoxines. These are pyridoxal derivatives in which the carbaldehyde group at position 2 of the pyridoxal moiety is replaced by a hydroxymethyl group.
• External Descriptors: hydrochloride

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

AR Tclin Androgen Receptor (11781 Activities)

Discover Target: AR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TP53 Tchem Cellular tumor antigen p53 (48468 Activities)

Discover Target: TP53

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

POLI Tchem DNA polymerase iota (116820 Activities)

Discover Target: POLI

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)

Discover Target: APEX1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GMNN Tbio Geminin (128009 Activities)

Discover Target: GMNN

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)

Discover Target: Txnrd1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Melt Point(°C): 207°C
• Molecular Weight: 205.640 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 205.051 Da
• Monoisotopic Mass: 205.051 Da
• Topological Polar Surface Area: 73.600 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 142.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3

References

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6. Lifen Meng, Yinying Zhang, Mengting Su.  (2025)  Preparation and application of Mn, Si-CQDs in Vitamin B6 and in vitro activity analysis.  CHINESE JOURNAL OF ANALYTICAL CHEMISTRY,      [PMID:] [10.1016/j.cjac.2025.100634]

7. Yong Hu, Hai-Long Wu, Xiao-Li Yin, Hui-Wen Gu, Rong Xiao, Li-Xia Xie, Zhi Liu, Huan Fang, Li Wang, Ru-Qin Yu.  (2017)  Rapid and interference-free analysis of nine B-group vitamins in energy drinks using trilinear component modeling of liquid chromatography-mass spectrometry data.  TALANTA,      [PMID:29332787] [10.1016/j.talanta.2017.12.036]

8. Kangyuan Qu, Siyuan Xiong, Caiqian Huang, Xiaoxia Jiang, Lixia Tian, Shiwei Xie.  (2024)  Dietary supplementation of ornithine improved the growth, immune response and acute NH3 stress tolerance of Pacific white shrimp, Penaeus vannamei.  Aquaculture Reports,      [PMID:] [10.1016/j.aqrep.2024.102095]

9. Qiang Wan, Rong Li, Meiping Ren, Gang Ke.  (2025)  Hydrothermally Synthesized Boletus Brucella-derived Carbon Quantum Dots as a Fluorescent Probe for the Detection of Vitamin B2.  Current Nanoscience,  21  (1): (92-98).  [PMID:] [10.2174/0115734137259719230921065320]

10. Haolin Zhang, Jingjing Zhang, Hui Cao, Petra Högger, Randolph Arroo, Mohamed A. Farag, Avi Shpigelman, Jianbo Xiao, Chunlin Li.  (2025)  Amination of Flavonoids Possessing a Pyrogallol Group in Cell Culture Medium at 37°C.  Food Frontiers,  6  (2): (1058-1078).  [PMID:] [10.1002/fft2.70002]

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12. Qin Zhou, Yushi Wei, Yijing Liao, Deming Gong, Guowen Zhang.  (2026)  Inhibition effect of vitamin B6 on α-glucosidase and mechanism of its synergistic inhibition with liquiritigenin.  FOOD CHEMISTRY,      [PMID:41592502] [10.1016/j.foodchem.2026.148130]