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Metadoxine - 10mM in DMSO, high purity , CAS No.74536-44-0

COA

Grade & Purity:

10mM in DMSO

Cas Number: 74536-44-0
Molecular Weight: 298.3
PubChem CID: 115198

In stock

Item Number

M425802

Grouped product items
SKU	Size	Availability	Price	Qty
M425802-1ml	1ml	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$69.90

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Compound libraries (12325)

Basic Description

Synonyms	Metadoxine \| 74536-44-0 \| Metasin \| Metadoxil \| Metadoxin \| EJQ7M98H5J \| (2S)-5-oxopyrrolidine-2-carboxylic acid; 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol \| (5-hydroxy-6-methylpyridine-3,4-diyl)dimethanol (S)-5-oxopyrrolidine-2-carboxylate \| 4,5-bis(hydroxymethyl)-2-m
Specifications & Purity	10mM in DMSO
Storage Temp	Store at -80°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	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.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyridines and derivatives
    - Subclass Pyridoxines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	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
Description	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
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. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;(2S)-5-oxopyrrolidine-2-carboxylic acid
INCHI	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
InChIKey	RYKKQQUKJJGFMN-HVDRVSQOSA-N
Smiles	CC1=NC=C(C(=C1O)CO)CO.C1CC(=O)NC1C(=O)O
Isomeric SMILES	CC1=NC=C(C(=C1O)CO)CO.C1CC(=O)N[C@@H]1C(=O)O
Molecular Weight	298.3
Reaxy-Rn	18360075
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18360075&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Melt Point(°C)	102-104°C (lit.)
Molecular Weight	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 Å²
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

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