Flucloxacillin sodium , CAS No.1847-24-1

CAS: 1847-24-1 Cat. No.: F413183 Molecular Weight: 475.85 EC Number: 217-428-0

COA

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Flucloxacillin sodium - CAS No(1847-24-1) by Aladdin Scientific

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AVAILABLE TO ORDER

Synonyms

Q27114512 | BCP07050 | BRD-K17953061-001-11-9 | C73561 | Flucloxacillin sodium, VETRANAL(TM), analytical standard | SCHEMBL855084 | A812884 | Sodium (2S-(2alpha,5alpha,6beta))-6-(((3-(2-chloro-6-fluorophenyl)-5-methylisoxazol-4-yl)carbonyl)amino)-3,3-dime

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview Specifications Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solution Calculators Reviews

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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

Information

Flucloxacillin sodium (Floxacillin sodium) is the sodium salt of flucloxacillin, a penicillin antibiotic used to treat bacterial infections.

Specifications

Synonyms

Q27114512 | BCP07050 | BRD-K17953061-001-11-9 | C73561 | Flucloxacillin sodium, VETRANAL(TM), analytical standard | SCHEMBL855084 | A812884 | Sodium (2S-(2alpha, 5alpha, 6beta))-6-(((3-(2-chloro-6-fluorophenyl)-5-methylisoxazol-4-yl)carbonyl)amino)-3, 3-dime

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=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)[O-].[Na+]
IUPAC Name	sodium;(2S,5R,6R)-6-[[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
InChIKey	OTEANHMVDHZOPB-SLINCCQESA-M
INCHI	1S/C19H17ClFN3O5S.Na/c1-7-10(12(23-29-7)11-8(20)5-4-6-9(11)21)15(25)22-13-16(26)24-14(18(27)28)19(2,3)30-17(13)24;/h4-6,13-14,17H,1-3H3,(H,22,25)(H,27,28);/q;+1/p-1/t13-,14+,17-;/m1./s1
Isomeric SMILES	CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)[O-].[Na+]
WGK Germany	3
Alternate CAS	5250-39-5
Molecular Weight	475.85
Reaxy-Rn	4106453
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4106453&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Amino acids, peptides, and analogues
      - Level5 Peptides
        Level6 Dipeptides

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Amino acids, peptides, and analogues
Intermediate Tree Nodes	Peptides
Direct Parent	Dipeptides
Alternative Parents	Penicillins N-acyl-alpha amino acids and derivatives Chlorobenzenes Fluorobenzenes Aryl chlorides Aryl fluorides Thiazolidines Tertiary carboxylic acid amides Heteroaromatic compounds Isoxazoles Secondary carboxylic acid amides Azetidines Carboxylic acid salts Oxacyclic compounds Azacyclic compounds Carboxylic acids Dialkylthioethers Monocarboxylic acids and derivatives Thiohemiaminal derivatives Organic metal halides Organonitrogen compounds Organochlorides Organic zwitterions Organic sodium salts Hydrocarbon derivatives Organic oxides Carbonyl compounds Organofluorides Organopnictogen compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Alpha-dipeptide - Penicillin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Penam - Halobenzene - Fluorobenzene - Chlorobenzene - Monocyclic benzene moiety - Aryl fluoride - Aryl chloride - Benzenoid - Aryl halide - Beta-lactam - Tertiary carboxylic acid amide - Isoxazole - Thiazolidine - Heteroaromatic compound - Azole - Lactam - Carboxylic acid salt - Secondary carboxylic acid amide - Carboxamide group - Azetidine - Organic metal halide - Oxacycle - Azacycle - Organic alkali metal salt - Carboxylic acid - Organoheterocyclic compound - Dialkylthioether - Hemithioaminal - Monocarboxylic acid or derivatives - Thioether - Organic salt - Organic oxide - Organic nitrogen compound - Organic sodium salt - Organopnictogen compound - Hydrocarbon derivative - Organic zwitterion - Organic oxygen compound - Carbonyl group - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond.
External Descriptors	organic sodium salt
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

3D Structure

Associated Targets(Human)

A498 (42825 Activities)

Flash Point(°F)	230°F
Flash Point(°C)	>110℃
Boil Point(°C)	677℃
Melt Point(°C)	176-178℃
Molecular Weight	475.900 g/mol
XLogP3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Exact Mass	475.038 Da
Monoisotopic Mass	475.038 Da
Topological Polar Surface Area	141.000 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	764.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
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