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4-Deoxypyridoxine Hydrochloride - ≥98.0%(HPLC), high purity , CAS No.148-51-6
Basic Description
Synonyms
NSC61770 | 2,4-DIMETHYL-3-HYDROXY-5-HYDROXYMETHYLPYRIDINE HYDROCHLORIDE | 4-Deoxypyridoxine, HCl | Desoxypyridoxime hydrochloride | 3-Pyridinemethanol, 4,6-dimethyl-5-hydroxy-, hydrochloride | 4-Desoxypyridoxine hydrochloride | SB52336 | SK 591 | 4-DOP hy
Specifications & Purity
≥98%(HPLC)
Biochemical and Physiological Mechanisms
Vitamin B6 antagonist
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyridines and derivatives
Subclass
Methylpyridines
Intermediate Tree Nodes
Not available
Direct Parent
Methylpyridines
Alternative Parents
Hydroxypyridines Heteroaromatic compounds Azacyclic compounds Primary alcohols Organopnictogen compounds Organonitrogen compounds Hydrochlorides Hydrocarbon derivatives Aromatic alcohols
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Methylpyridine - Hydroxypyridine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Hydrochloride - Aromatic alcohol - Primary alcohol - Organooxygen compound - Organonitrogen compound - Alcohol - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as methylpyridines. These are organic compounds containing a pyridine ring substituted at one or more positions by a methyl group.
External Descriptors
Not available
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.
Names and Identifiers
Pubchem Sid
504754154
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504754154
IUPAC Name
5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol;hydrochloride
INCHI
InChI=1S/C8H11NO2.ClH/c1-5-7(4-10)3-9-6(2)8(5)11;/h3,10-11H,4H2,1-2H3;1H
InChIKey
QZKKOQQIVLXUEI-UHFFFAOYSA-N
Smiles
CC1=C(C(=NC=C1CO)C)O.Cl
Isomeric SMILES
CC1=C(C(=NC=C1CO)C)O.Cl
RTECS
UT4800000
Molecular Weight
189.64
Reaxy-Rn
3706481
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3706481&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Soluble in water; Soluble in Alcohol
Melt Point(°C)
274°C(dec.)(lit.)
Molecular Weight
189.640 g/mol
XLogP3
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
189.056 Da
Monoisotopic Mass
189.056 Da
Topological Polar Surface Area
53.400 Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
129.000
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
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I2008167