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58-56-0 molecular structure
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4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol hydrochloride

ChemBase ID: 102712
Molecular Formular: C8H12ClNO3
Molecular Mass: 205.63878
Monoisotopic Mass: 205.05057093
SMILES and InChIs

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

Cite this record

CBID:102712 http://www.chembase.cn/molecule-102712.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

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

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.39743  H Acceptors
H Donor LogD (pH = 5.5) -1.2796693 
LogD (pH = 7.4) -0.96294767  Log P -0.9513213 
Molar Refractivity 44.1053 cm3 Polarizability 16.756275 Å3
Polar Surface Area 73.58 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Pharmacology Properties Product Information Bioassay(PubChem)
Solubility
DMSO expand Show data source
H2O: soluble0.1 g/mL at 20 °C, clear, colorless expand Show data source
Methanol expand Show data source
Apperance
White Solid expand Show data source
Melting Point
160 expand Show data source
214-215 °C(lit.) expand Show data source
220-222°C expand Show data source
ca 206°C dec. expand Show data source
Density
1.43 g/ml expand Show data source
pH
2.0-3.5 (25 °C, 50 mg/mL in H2O) expand Show data source
Storage Condition
-20°C Freezer expand Show data source
Room Temperature (15-30°C) expand Show data source
Room Temperature (15-30°C), Protect from light expand Show data source
Storage Warning
Light Sensitive expand Show data source
RTECS
UV1350000 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
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Download expand Show data source
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German water hazard class
2 expand Show data source
TSCA Listed
expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Storage Temperature
2-8°C expand Show data source
Target
Others expand Show data source
Purity
≥98% (HPLC) expand Show data source
≥98.0% expand Show data source
≥99.0% (dried material) expand Show data source
98% expand Show data source
99% expand Show data source
Grade
analytical standard expand Show data source
SAJ special grade expand Show data source
USP expand Show data source
Salt Data
HCl expand Show data source
Hydrochloride expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Packaging
ampule of 1000 mg expand Show data source
Suitability
meets USP testing specifications expand Show data source
plant cell culture tested expand Show data source
suitable for cell culture expand Show data source
suitable for insect cell culture expand Show data source
suitable for plant cell culture expand Show data source
Ignition Residue
≤0.1% (as SO4) expand Show data source
Cation Traces
Ca: ≤10 mg/kg expand Show data source
Cd: ≤5 mg/kg expand Show data source
Co: ≤5 mg/kg expand Show data source
Cr: ≤5 mg/kg expand Show data source
Cu: ≤5 mg/kg expand Show data source
Fe: ≤5 mg/kg expand Show data source
K: ≤50 mg/kg expand Show data source
Mg: ≤5 mg/kg expand Show data source
Mn: ≤5 mg/kg expand Show data source
Na: ≤50 mg/kg expand Show data source
Ni: ≤5 mg/kg expand Show data source
Pb: ≤5 mg/kg expand Show data source
Zn: ≤5 mg/kg expand Show data source
Antion Traces
sulfate (SO42-): ≤50 mg/kg expand Show data source
Loss on Drying
≤0.1% loss on drying expand Show data source
Quality Level
PREMIUM expand Show data source
Feature
standard type water soluble vitamin expand Show data source
Pharmacopeia Traceability
traceable to BP 458 expand Show data source
traceable to PhEur P4100000 expand Show data source
traceable to USP 1587001 expand Show data source
Empirical Formula (Hill Notation)
C8H11NO3 · HCl expand Show data source
Classification
Genuine Natural Compounds expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich TRC TRC
MP Biomedicals - 02194733 external link
Cell Culture Reagent
Hydrochloride
Purity: 98%
MP Biomedicals - 02102777 external link
Hydrochloride
Crystalline
Purity: 98%
Sigma Aldrich - P6280 external link
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 external link
Other Notes
Coenzymes and Cofactors, vol. 1: Vitamin B6, Pyridoxal Phosphate1,2
Toronto Research Chemicals - P991735 external link
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

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • 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)
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PATENTS

PATENTS

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INTERNET

INTERNET

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