Thiamphenicol glycinate hydrochloride - ≥98% , CAS No.2611-61-2

CAS: 2611-61-2 Cat. No.: T276068 Molecular Weight: 449.7 EC Number: 220-033-6 PubChem CID: 197006

GRADE & PURITY ≥98%

Synonyms

Neoscan (TN) | [(2R,3R)-2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-(4-methylsulfonylphenyl)propyl] 2-aminoacetate;hydrochloride | Thiamphenicol glycinate HCl | Urfamicin hydrochloride | AKOS024255724 | EINECS 220-033-6 | [(2R,3R)-2-[2,2-bis(chloranyl)ethan

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Overview

Store at Room Temperature. The product can be stored for up to 12 months.

Specifications

Synonyms

Neoscan (TN) | [(2R, 3R)-2-[(2, 2-dichloroacetyl)amino]-3-hydroxy-3-(4-methylsulfonylphenyl)propyl] 2-aminoacetate;hydrochloride | Thiamphenicol glycinate HCl | Urfamicin hydrochloride | AKOS024255724 | EINECS 220-033-6 | [(2R, 3R)-2-[2, 2-bis(chloranyl)ethan

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Antimicrobial and antibacterial agent used on respiratory tract pathogens. Active in vitro and in vivo .

Storage

Store at 2-8°C, Protected from light

Shipped In

Wet ice

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

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504757781
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504757781
• Canonical Smiles: CS(=O)(=O)C1=CC=C(C=C1)C(C(COC(=O)CN)NC(=O)C(Cl)Cl)O.Cl
• IUPAC Name: [(2R,3R)-2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-(4-methylsulfonylphenyl)propyl] 2-aminoacetate;hydrochloride
• InChIKey: DKXJDBJNAXSJDH-MHDYBILJSA-N
• INCHI: 1S/C14H18Cl2N2O6S.ClH/c1-25(22,23)9-4-2-8(3-5-9)12(20)10(7-24-11(19)6-17)18-14(21)13(15)16;/h2-5,10,12-13,20H,6-7,17H2,1H3,(H,18,21);1H/t10-,12-;/m1./s1
• Isomeric SMILES: CS(=O)(=O)C1=CC=C(C=C1)[C@H]([C@@H](COC(=O)CN)NC(=O)C(Cl)Cl)O.Cl
• PubChem CID: 197006
• Molecular Weight: 449.7

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Alpha amino acid esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Alpha amino acid esters
• Alternative Parents: Benzenesulfonyl compounds Sulfones Secondary carboxylic acid amides Secondary alcohols Carboxylic acid esters Monocarboxylic acids and derivatives Organopnictogen compounds Organochlorides Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Carbonyl compounds Aromatic alcohols Alkyl chlorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alpha-amino acid ester - Benzenesulfonyl group - Monocyclic benzene moiety - Benzenoid - Sulfonyl - Sulfone - Carboxamide group - Carboxylic acid ester - Secondary alcohol - Secondary carboxylic acid amide - Monocarboxylic acid or derivatives - Alcohol - Aromatic alcohol - Hydrochloride - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Primary aliphatic amine - Organic oxide - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Amine - Organic nitrogen compound - Alkyl halide - Alkyl chloride - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.
• 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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water
• Sensitivity: Moisture sensitive;Light sensitive
• Molecular Weight: 449.700 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 9
• Exact Mass: 448.003 Da
• Monoisotopic Mass: 448.003 Da
• Topological Polar Surface Area: 144.000 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 558.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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

XLogP3

References

1. Naifeng Xu, Liguang Xu, Wei Ma, Liqiang Liu, Hua Kuang, Chuanlai Xu.  (2015)  An ultrasensitive immunochromatographic assay for non-pretreatment monitoring of chloramphenicol in raw milk.  FOOD AND AGRICULTURAL IMMUNOLOGY,      [PMID:] [10.1080/09540105.2014.998640]