VitaminB6 CAS#: 58-56-0; ChemWhat Code: 1429451

IdentificationPhysical DataSpectra
Route of Synthesis (ROS)Safety and HazardsOther Data

Identification

Product NameVitaminB6
IUPAC Name4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride
Molecular Structure58-56-0
CAS Registry Number 58-56-0
EINECS Number200-386-2
MDL NumberMFCD00012807
Beilstein Registry Number3632435
SynonymsPYRIDOXINE HYDROCHLORIDE
58-56-0
Pyridoxol hydrochloride
Hexa-Betalin
Aderoxine
Alestrol
Bonasanit
Hexavibex
Hexermin
Hexobion
Pyridipca
Becilan
Beesix
Benadon
Pydox
Campoviton 6
Adermine hydrochloride
Hexabetalin
Aderoxin
Godabion
Paxadon
Pyridox
3,4-Pyridinedimethanol, 5-hydroxy-6-methyl-, hydrochloride
Aderomine hydrochloride
Hexabione hydrochloride
Pyridoxin hydrochloride
Hexa-Betalin (R)
Pyridoxinum hydrochloricum
Rodex (R)
4,5-Bis(hydroxymethyl)-2-methylpyridin-3-ol hydrochloride
Pyridoxol, hydrochloride
Pyridoxine monohydrochloride
VibeX
5-Hydroxy-6-methyl-3,4-pyridinedimethanol hydrochloride
Pyridoxine, hydrochloride
CCRIS 1903
Clorhidrato de piridoxina
HSDB 1212
2-Methyl-3-hydroxy-4,5-bis(hydroxymethyl)pyridine hydrochloride
EINECS 200-386-2
UNII-68Y4CF58BV
NSC 36225
NSC-36225
5-Hydroxy-6-methyl-3,4-pyridinedicarbinol hydrochloride
68Y4CF58BV
DTXSID1040792
CHEBI:30961
AI3-19016
5-Hydroxy-6-methyl-3,4-pyridinedimethanol, hydrochloride
3-Hydroxy-4,5-dihydroxymethyl-2-methylpyridine hydrochloride
DTXCID4010780
4,5-Bis(hydroxymethyl)-3-hydroxy-2-methylpyridine hydrochloride
Pyridoxine hydrochloride [USP:JAN]
TPN COMPONENT PYRIDOXINE HYDROCHLORIDE
BONJESTA COMPONENT PYRIDOXINE HYDROCHLORIDE
DICLEGIS COMPONENT PYRIDOXINE HYDROCHLORIDE
BENDECTIN COMPONENT PYRIDOXINE HYDROCHLORIDE
DICLECTIN COMPONENT PYRIDOXINE HYDROCHLORIDE
Pyridoxine hydrochloride (USP:JAN)
PYRIDOXINE HYDROCHLORIDE (MART.)
PYRIDOXINE HYDROCHLORIDE [MART.]
PYRIDOXINE HYDROCHLORIDE (USP-RS)
PYRIDOXINE HYDROCHLORIDE [USP-RS]
PYRIDOXINE HYDROCHLORIDE (EP IMPURITY)
PYRIDOXINE HYDROCHLORIDE [EP IMPURITY]
PYRIDOXINE HYDROCHLORIDE (EP MONOGRAPH)
PYRIDOXINE HYDROCHLORIDE (USP MONOGRAPH)
PYRIDOXINE HYDROCHLORIDE [EP MONOGRAPH]
PYRIDOXINE HYDROCHLORIDE [USP MONOGRAPH]
CitraNatalB-Calm
Rodex(R)
PYRIDOXINE HCI
B-6 Pyridoxine HCL
PYRIDOXINE HYDROCHLORIDE COMPONENT OF TPN
PYRIDOXINE HYDROCHLORIDE COMPONENT OF BENDECTIN
PYRIDOXINE HYDROCHLORIDE COMPONENT OF BONJESTA
4,5-Bis(hydroxymethyl)-2-methylpyridin-3-ol monohydrochloride
200-386-2
Pyridoxine HCl
Vitamin B6 hydrochloride
Pyridoxine chloride
Pyridoxinium chloride
Bendectin
PN HCl
Pyridoxine (hydrochloride)
MFCD00012807
3-Hydroxy-4,5-dimethylol-alpha-picoline hydrochloride
(5-hydroxy-6-methylpyridine-3,4-diyl)dimethanol hydrochloride
Adermin hydrochloride
8064-77-5
4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride
Pyridoxine hydrogen chloride
Spondylonal
Pyridoxin hydrochloride (Vitamin B6 hydrochloride)
Pyridoxol (hydrochloride);Vitamin B6 (hydrochloride)
4,5-bis(hydroxymethyl)-2-methyl-3-pyridinol hydrochloride
3,4-Pyridinedimethanol, 5-hydroxy-6-methyl-, hydrochloride (1:1)
Pyridoxinum hydrochloricum (Hungarian)
SMR000674613
Hexa-betalin (TN)
NSC36225
component of Alestrol
Tex Six T.R.
NCGC00164317-01
Vitamin B6-hydrochloride
Vitamin B6, hydrochloride
Pyridoxine hydrochloride [JAN]
Prestwick_925
Pyridoxini hydrochloridum
SCHEMBL42293
MLS001074329
MLS002153915
PYRIDOXINE HCL [VANDF]
Pyridoxine hydrochloride, 98%
3-Hydroxy-4,5-dimethylol-.alpha.-picoline hydrochloride
CHEMBL1200756
HY-N0682R
HMS1569N08
HY-N0682
PXB92112
Tox21_302476
PYRIDOXINE HYDROCHLORIDE [MI]
s3113
3-Hydroxy-4,5-Dimethylol-Alpha-Pic
Pyridoxine hydrochloride (JP17/USP)
PYRIDOXINE HYDROCHLORIDE [FCC]
AKOS015891679
Pyridoxine (hydrochloride) (Standard)
CCG-220623
CS-W020418
FP27320
PYRIDOXINE HYDROCHLORIDE [HSDB]
3, 5-hydroxy-6-methyl-, hydrochloride
PYRIDOXINE HYDROCHLORIDE [VANDF]
NCGC00180946-01
NCGC00256911-01
PYRIDOXINE HYDROCHLORIDE [WHO-DD]
PYRIDOXINE HYDROCHLORIDE [WHO-IP]
PYRIDOXINUM HYDROCHLORICUM [HPUS]
AC-12024
AS-11752
SY061587
WLN: T6NJ B1 CQ D1Q E1Q &GH
Pyridoxine hydrochloride, >=98% (HPLC)
DB-053225
Pyridoxine hydrochloride, p.a., 98-102%
NS00075617
P0561
PYRIDOXINE HYDROCHLORIDE [GREEN BOOK]
SW197042-3
PYRIDOXINE HYDROCHLORIDE [ORANGE BOOK]
D02179
H12039
EN300-7548938
PYRIDOXINI HYDROCHLORIDUM [WHO-IP LATIN]
VITAMIN B6 (AS PYRIDOXINE HYDROCHLORIDE)
Pyridoxine Hydrochloride (B6), analytical standard
Pyridoxine hydrochloride, plant cell culture tested
SR-05000001644-4
Q26841284
F0001-2400
Pyridoxine hydrochloride, SAJ special grade, >=98.0%
Pyridoxine hydrochloride, Vetec(TM) reagent grade, 98%
Pyridoxine hydrochloride, meets USP testing specifications
Pyridoxine Hydrochloride 1.0 mg/ml in Methanol (as free base)
3-Hydroxy-4,5-bis(hydroxymethyl)-2-methylpyridine hydrochloride
Pyridoxine hydrochloride, certified reference material, TraceCERT(R)
Pyridoxine hydrochloride, British Pharmacopoeia (BP) Reference Standard
Pyridoxine hydrochloride, European Pharmacopoeia (EP) Reference Standard
Pyridoxine hydrochloride, Pharmaceutical Secondary Standard; Certified Reference Material
Pyridoxine hydrochloride, United States Pharmacopeia (USP) Reference Standard
Vitamin B6 hydrochloride;2-Methyl-3-hydroxy-4,5-bis(hydroxymethyl)pyridine hydrochloride
Pyridoxine hydrochloride, BioReagent, suitable for cell culture, suitable for insect cell culture, suitable for plant cell culture
Molecular FormulaC8H12ClNO3 
Molecular Weight205.64
InChIInChI=1S/C8H11NO3.ClH/c1-5-8(12)7(4-11)6(3-10)2-9-5;/h2,10-12H,3-4H2,1H3;1H
InChI KeyZUFQODAHGAHPFQ-UHFFFAOYSA-N
SMILESCC1=NC=C(C(=C1O)CO)CO.Cl
Patent Information
Patent IDTitlePublication Date
JP2019/55921METHOD OF PRODUCING STEREOISOMER2019
US6159505Compositions for the treatment of migraine, containing potassium, magnesium and pyridoxine2000
US5103000Packing for chromatography and method for separating water soluble organic compounds using the same1992

Physical Data

AppearanceWhite to off-white crystalline powder
Melting Point, °C Solvent (Melting Point)
214
205
204.5 – 205.6
205 – 212
208ethanol, water
209 – 210
202 – 204
Description (Association (MCS))Solvent (Association (MCS))Temperature (Association (MCS)), °CPartner (Association (MCS))
Adsorption isothermwaterchitosan supported zinc oxide nanoparticle
Rate of adsorptionwaterchitosan supported zinc oxide nanoparticle
Adsorption isothermH2Ohighly dispersed silica
Adsorptionaq. phosphate buffer20modified Diaspher-110-C18 sorbent
AdsorptionH2O37cross-linked insoluble polyvinylpyrrolidone
ChemisorptionH2O37cross-linked insoluble polyvinylpyrrolidone
ChemisorptionH2O, HCl37cross-linked insoluble polyvinylpyrrolidone

Spectra

Description (NMR Spectroscopy)Nucleus (NMR Spectroscopy)Solvents (NMR Spectroscopy)Temperature (NMR Spectroscopy), °C Frequency (NMR Spectroscopy), MHz
Spectrum1Hdimethylsulfoxide-d6400
Chemical shifts, Spectrum1Hwater-d225.04250.1
Chemical shifts, Spectrum13Cwater-d225.0463
Chemical shifts1Hwater-d2
Chemical shifts1Hdimethylsulfoxide-d6
MAS (Magic-Angle Spinning), Solid state NMR, Chemical shifts, Spectrum1H
MAS (Magic-Angle Spinning), Solid state NMR, Chemical shifts, Spectrum13C
Description (IR Spectroscopy)Solvent (IR Spectroscopy)
Spectrum
Bands
Bandspotassium bromide
Bands, Spectrum
Spectrumpotassium bromide
Intensity of IR bands, Bands, Spectrumpotassium bromide
Bands
Description (UV/VIS Spectroscopy)Solvent (UV/VIS Spectroscopy)Absorption Maxima (UV/VIS), nm
Spectrumethanol
Band assignment, Spectrumwater290, 324
Spectrum256, 290, 325
Spectrumwater290
Spectrumwater, hydrogenchloride
Spectrum1,4-dioxane282
Spectrumdimethyl sulfoxide285

Route of Synthesis (ROS)

Route of Synthesis (ROS) of VitaminB6 CAS 58-56-0
ConditionsYield
With dichlorosulfoxide In N,N-dimethyl-formamide for 0.5h; Reflux; Inert atmosphere;99%
With dichlorosulfoxide In dichloromethane; N,N-dimethyl-formamide for 12h; Reflux;

Experimental Procedure
4,5-Bis(chloromethyl)-3-hydroxy-2-methylpyridinium chloride (15)
Pyridoxine hydrochloride (20.0 g, 0.10 mol) and DMF (5 mL) were added to dichloromethane (200 mL). Then, thionyl chloride (24 mL, 0.33 mol) was added to the mixture with con- tinuous stirring over 10 min. The reaction mixture was refluxed for 12 h. A precipitate was filtered off and washed with dichlo- romethane. The yield was 22.6 g (96%), a white crystalline com- pound, m.p. 203-204 °C (decomp.) (cf. Ref. 30: m.p. 203 °C). 1H NMR (DMSO-d6), d: 2.66 (s, 3 H, Me); 4.98 (s, 2 H, CH2Cl); 5.1 (s, 2 H, CH2Cl); 8.44 (s, 1 H, CHPyr). 13C NMR (DMSO-d6), d: 16.03 (s, Me); 35.27 (s, CH2Cl); 39.31 (s, CH2Cl); 133.14 (s, Cpyr); 133.69 (s, Cpyr); 138.39 (s, Cpyr); 144.84 (s, Cpyr); 152.48 (s, Cpyr).		96%
With dichlorosulfoxide; N,N-dimethyl-formamide at 80℃; for 3h;

Experimental Procedure
4.2.1. 4,5-Bis(chloromethyl)-2-methylpyridin-3-ol hydrochloride (10) [CAS no. 39984-50-4]
DMF (0.2mL, 2.583mmol) was added to a suspension pyridoxine·HCl (5) (5g, 24.31mmol) in thionyl chloride (30mL). The mixture was stirred for 3h at 80°C. Ethyl ether (70mL) was added, followed by stirring for 1h in an iced bath. The mixture was filtered and the filter cake was washed with ethyl ether. The filter cake was dried to give10(5.5g, 93%) as a white solid.		93%

Safety and Hazards

Pictogram(s)corrosion
SignalDanger
GHS Hazard StatementsH318 (88.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement CodesP264+P265, P280, P305+P354+P338, and P317
(The corresponding statement to each P-code can be found at the GHS Classification page.)

Other Data

TransportationUnder room temperature away from light and sealed.
HS Code
StorageUnder room temperature away from light and sealed.
Shelf Life1 year
Druglikeness
Lipinski rules component
Molecular Weight205.641
logP-0.002
HBA3
HBD3
Matching Lipinski Rules4
Veber rules component
Polar Surface Area (PSA)73.58
Rotatable Bond (RotB)2
Matching Veber Rules2
Use Pattern
Vitamin B6, also known as pyridoxine or pyridoxol is an essential water-soluble B vitamin. In the body, it exists in various forms, including pyridoxol (PN), pyridoxal (PL), pyridoxamine (PM), pyridoxol phosphate (PLP), pyridoxal phosphate (PNP), and pyridoxamine phosphate (PMP), which is a vital nutrient that supports numerous physiological functions in the body. It plays a key role in protein metabolism, aiding the body in breaking down and utilizing amino acids efficiently. Vitamin B6 is also crucial for neurotransmitter synthesis, contributing to brain health and mood regulation. Additionally, it supports hemoglobin production, enhancing oxygen transport in the blood, and helps maintain a robust immune system. This versatile vitamin is further involved in energy production, promoting overall vitality, and has been linked to reducing the risk of certain chronic conditions like heart disease by regulating homocysteine levels.

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