10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -80°C Ships Dry ice packs + Cold packs Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Metadoxine is used in the treatment of liver functional disorders in performing stomatologic interventions as well as in the treatment of acute and chronic alcoholism.
| パブケム・シド | 528774672 |
|---|---|
| カノニカル・スマイル | CC1=NC=C(C(=C1O)CO)CO.C1CC(=O)NC1C(=O)O |
| IUPAC Name | 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;(2S)-5-oxopyrrolidine-2-carboxylic acid |
| InChIKey | RYKKQQUKJJGFMN-HVDRVSQOSA-N |
| INCHI | 1S/C8H11NO3.C5H7NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5;7-4-2-1-3(6-4)5(8)9/h2,10-12H,3-4H2,1H3;3H,1-2H2,(H,6,7)(H,8,9)/t;3-/m.0/s1 |
| 異性体SMILES | CC1=NC=C(C(=C1O)CO)CO.C1CC(=O)N[C@@H]1C(=O)O |
| 分子量 | 298.3 |
| Reaxy-Rn | 18360075 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18360075&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| 分類 | Pyridines and derivatives |
| Subclass | Pyridoxines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyridoxines |
| Alternative Parents | Alpha amino acids and derivatives Pyrroline carboxylic acids Pyrrolidine carboxylic acids Oxoprolines Methylpyridines Hydroxypyridines Heteroaromatic compounds Cyclic carboximidic acids Lactims Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Primary alcohols Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Aromatic alcohols |
| Molecular Framework | Not available |
| Substituents | Pyridoxine - Alpha-amino acid or derivatives - Pyrroline carboxylic acid or derivatives - Pyrroline carboxylic acid - Pyrrolidine carboxylic acid - Oxoproline - Methylpyridine - Hydroxypyridine - Heteroaromatic compound - Cyclic carboximidic acid - Pyrroline - Lactim - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Aromatic alcohol - Primary alcohol - Organooxygen compound - Organonitrogen compound - Carbonyl group - Alcohol - Aromatic heteromonocyclic compound |
| 説明 | 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 | Not available |
| 融点（°C） | 102-104°C (lit.) |
|---|---|
| 分子量 | 298.290 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 3 |
| Exact Mass | 298.116 Da |
| Monoisotopic Mass | 298.116 Da |
| Topological Polar Surface Area | 140.000 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 297.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| 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 |
