Chloramphenicol 1-Acetate - ≥98% , CAS No.23214-93-9

CAS: 23214-93-9 Cat. No.: C348072 Molecular Weight: 365.17

GRADE & PURITY ≥98%

Synonyms

Acetamide, N-[(1R,2R)-2-(acetyloxy)-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]-2,2-dichloro- | Acetylchloramphenicol, 1- | Acetamide, N-(2-(acetyloxy)-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl)-2,2-dichloro-, (R-(R*,R*))- | 1-Acetylchloramphenicol | Chloram

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Found in the metabolic decomposition of Chloramphenicol by Alcaligenes faecalis. A Chloramphenicol derivative.

Specifications

Synonyms

Acetamide, N-[(1R, 2R)-2-(acetyloxy)-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]-2, 2-dichloro- | Acetylchloramphenicol, 1- | Acetamide, N-(2-(acetyloxy)-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl)-2, 2-dichloro-, (R-(R*, R*))- | 1-Acetylchloramphenicol | Chloram

Specifications & Purity

≥98%

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.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504755736
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755736
• Canonical Smiles: CC(=O)OC(C1=CC=C(C=C1)[N+](=O)[O-])C(CO)NC(=O)C(Cl)Cl
• IUPAC Name: [(1R,2R)-2-[(2,2-dichloroacetyl)amino]-3-hydroxy-1-(4-nitrophenyl)propyl] acetate
• InChIKey: WEYAPUCXWINQDH-GHMZBOCLSA-N
• INCHI: 1S/C13H14Cl2N2O6/c1-7(19)23-11(10(6-18)16-13(20)12(14)15)8-2-4-9(5-3-8)17(21)22/h2-5,10-12,18H,6H2,1H3,(H,16,20)/t10-,11-/m1/s1
• Isomeric SMILES: CC(=O)O[C@H](C1=CC=C(C=C1)[N+](=O)[O-])[C@@H](CO)NC(=O)C(Cl)Cl
• Molecular Weight: 365.17
• Reaxy-Rn: 2911434
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2911434&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzyloxycarbonyls

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzyloxycarbonyls
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzyloxycarbonyls
• Alternative Parents: Nitrobenzenes Nitroaromatic compounds Secondary carboxylic acid amides Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Organic oxoazanium compounds Alkyl chlorides Organic oxides Organopnictogen compounds Primary alcohols Carbonyl compounds Hydrocarbon derivatives Organic zwitterions Organochlorides Organonitrogen compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzyloxycarbonyl - Nitrobenzene - Nitroaromatic compound - Carboxamide group - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Secondary carboxylic acid amide - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxoazanium - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organochloride - Alkyl halide - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Alkyl chloride - Organopnictogen compound - Alcohol - Organic oxygen compound - Organooxygen compound - Primary alcohol - Organic zwitterion - Organic nitrogen compound - Carbonyl group - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzyloxycarbonyls. These are organic compounds containing a carbonyl group substituted with a benzyloxyl 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

Associated Targets(non-human)

Mycobacterium tuberculosis (203094 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Chloroform (Slightly), Ethyl Acetate, Methanol (Slightly)
• Melt Point(°C): >119° C (dec.)
• Molecular Weight: 365.160 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 364.023 Da
• Monoisotopic Mass: 364.023 Da
• Topological Polar Surface Area: 121.000 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 435.000
• 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: 1