Pyridoxine-d3 Hydrochloride , CAS No.1189921-12-7

CAS: 1189921-12-7 Cat. No.: P379652 Molecular Weight: 208.66 EC Number: 110-384-2 PubChem CID: 46782823

Synonyms

Pyridoxol-d3 Hydrochloride

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Pyridoxine-d3 Hydrochloride is labeled vitamin of the B6 complex, it is present in many foodstuffs (yeast, liver and cereals). Its role is transporting protein Bsu1, as well as contributing to thiamine uptake and characterization of thiamine (vitamin B1) transporter Thi9 from Schiz
Pyridoxine-d3 Hydrochlorideis a transporter of protein Bsu1

Specifications

Synonyms

Pyridoxol-d3 Hydrochloride

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

• Canonical Smiles: CC1=NC=C(C(=C1O)CO)CO.Cl
• IUPAC Name: 4,5-bis(hydroxymethyl)-2-(trideuteriomethyl)pyridin-3-ol;hydrochloride
• InChIKey: ZUFQODAHGAHPFQ-NIIDSAIPSA-N
• INCHI: 1S/C8H11NO3.ClH/c1-5-8(12)7(4-11)6(3-10)2-9-5;/h2,10-12H,3-4H2,1H3;1H/i1D3
• Isomeric SMILES: [2H]C([2H])([2H])C1=NC=C(C(=C1O)CO)CO.Cl
• PubChem CID: 46782823
• Molecular Weight: 208.66

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: Methylpyridines Hydroxypyridines Heteroaromatic compounds Azacyclic compounds Primary alcohols Organonitrogen compounds Hydrochlorides Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridoxine - Methylpyridine - Hydroxypyridine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organic oxygen 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 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

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.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Flash Point(°F): Not applicable
• Flash Point(°C): Not applicable
• Molecular Weight: 208.660 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 208.069 Da
• Monoisotopic Mass: 208.069 Da
• Topological Polar Surface Area: 73.600 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 142.000
• Isotope Atom Count: 3
• 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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