4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol hydrochloride

• ChemBase ID: 102712
• Molecular Formular: C8H12ClNO3
• Molecular Mass: 205.63878
• Monoisotopic Mass: 205.05057093
• SMILES: Cl.Cc1ncc(CO)c(CO)c1O
• Canonical SMILES: OCc1c(CO)cnc(c1O)C.Cl
• InChI: InChI=1S/C8H11NO3.ClH/c1-5-8(12)7(4-11)6(3-10)2-9-5;/h2,10-12H,3-4H2,1H3;1H
• InChIKey: ZUFQODAHGAHPFQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol hydrochloride
• IUPAC Traditional name: pyridoxine hydrochloride
• Synonyms: 5-Hydroxy-6-methyl-3,4-pyridinedimethanol Hydrochloride; Aderomine Hydrochloride; Aderoxin; Hexobion; Pyridox; (5-hydroxy-6-methylpyridine-3,4-diyl)dimethanol hydrochloride; Adermine hydrochloride; PN HCl; Pyridoxol hydrochloride; Vitamin B6 hydrochloride; PYRIDOXINE HYDROCHLORIDE; Vitamin B₆; PYRIDOXINE; PYRIDOXINE HYDROCHLORIDE, USP; Pyridoxine hydrochloride; Pyridoxine hydrochloride; Pyridoxine Hydrochloride (B6); 吡哆醇 盐酸盐; 抗皮炎素 盐酸盐; 维生素 B6 盐酸盐; 吡哆素 盐酸盐; 吡哆素 盐酸盐; 盐酸吡哆素 (B6); 吡哆辛盐酸盐

Database IDs

• CAS Number: 58-56-0
• EC Number: 200-386-2
• MDL Number: MFCD00012807
• Beilstein Number: 3632435
• Merck Index: 147982
• PubChem SID: 24871530; 24898493; 24898966; 162090646; 24898752; 24899059
• PubChem CID: 6019

CALCULATED PROPERTIES

• Acid pKa: 9.39743
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -1.2796693
• LogD (pH = 7.4): -0.96294767
• Log P: -0.9513213
• Molar Refractivity: 44.1053 cm^3
• Polarizability: 16.756275 Å^3
• Polar Surface Area: 73.58 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: DMSO; H2O: soluble0.1 g/mL at 20 °C, clear, colorless; Methanol
• Apperance: White Solid
• Melting Point: 160; 214-215 °C(lit.); 220-222°C; ca 206°C dec.
• Density: 1.43 g/ml
• pH: 2.0-3.5 (25 °C, 50 mg/mL in H2O)

Safety Information

• Storage Condition: -20°C Freezer; Room Temperature (15-30°C); Room Temperature (15-30°C), Protect from light
• Storage Warning: Light Sensitive
• RTECS: UV1350000
• German water hazard class: 2
• TSCA Listed: 是
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: 2-8°C

Pharmacology Properties

• Target: Others

Product Information

• Purity: ≥98% (HPLC); ≥98.0%; ≥99.0% (dried material); 98%; 99%
• Grade: analytical standard; SAJ special grade; USP
• Salt Data: HCl; Hydrochloride
• Packaging: ampule of 1000 mg
• Suitability: meets USP testing specifications; plant cell culture tested; suitable for cell culture; suitable for insect cell culture; suitable for plant cell culture
• Ignition Residue: ≤0.1% (as SO4)
• Cation Traces: Ca: ≤10 mg/kg; Cd: ≤5 mg/kg; Co: ≤5 mg/kg; Cr: ≤5 mg/kg; Cu: ≤5 mg/kg; Fe: ≤5 mg/kg; K: ≤50 mg/kg; Mg: ≤5 mg/kg; Mn: ≤5 mg/kg; Na: ≤50 mg/kg; Ni: ≤5 mg/kg; Pb: ≤5 mg/kg; Zn: ≤5 mg/kg
• Antion Traces: sulfate (SO42-): ≤50 mg/kg
• Loss on Drying: ≤0.1% loss on drying
• Quality Level: PREMIUM
• Feature: standard type water soluble vitamin
• Pharmacopeia Traceability: traceable to BP 458; traceable to PhEur P4100000; traceable to USP 1587001
• Empirical Formula (Hill Notation): C8H11NO3 · HCl
• Classification: Genuine Natural Compounds

DETAILS

MP Biomedicals - 02194733

Cell Culture Reagent
Hydrochloride
Purity: 98%

MP Biomedicals - 02102777

Hydrochloride
Crystalline
Purity: 98%

Sigma Aldrich - P6280

General description
涉及影响细胞过程的多种生化反应。用作可在培养基中降解的吡哆醛的替代物。

Sigma Aldrich - 95180

Other Notes
Coenzymes and Cofactors, vol. 1: Vitamin B6, Pyridoxal Phosphate1,2

Toronto Research Chemicals - P991735

Pyridoxine is one of the vitamins of the B6 complex; present in many foodstuffs (yeast, liver and cereals). Pyridoxine has a role in transporting protein Bsu1, Pyridoxine contributes to thiamine uptake; characterization of thiamine (vitamin B1) transporte

REFERENCES

• Williams, R., et al.: J. Biol. Chem., 87, 581 (1930)
• Rodionov, D., et al.: J. Biol. Chem., 277, 48949 (1930)
• Nosaka, K., et al.: Mol. Microbiol., 58, 467 (1930)