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Ceftiofur sodium - 10mM in DMSO, high purity , CAS No.104010-37-9

2 Citations

COA

Grade & Purity:

10mM in DMSO

Cas Number: 104010-37-9
Molecular Weight: 545.6
PubChem CID: 23671563

In stock

Item Number

C420438

Grouped product items
SKU	Size	Availability	Price	Qty
C420438-1ml	1ml	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$241.90

View related series

Antibiotic (1629) Bacterial (3013) Compound libraries (12325)

Basic Description

Synonyms	CEFTIOFUR SODIUM (MART.) \| CEFTIOFUR NATRIUM [WHO-DD] \| SODIUM (6R,7R)-7-(2-(2-AMINO-4-THIAZOLYL)GLYOXYLAMIDO)-3-(MERCAPTOMETHYL)-8-OXO-5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLATE, 72-(Z)-(O-METHYLOXIME), 2-FUROATE (ESTER) \| Ceftiflex \| BSPBio_00357
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	Ceftiofur sodium is an antibiotic of the cephalosporin type (third generation), licensed for use in veterinary medicine.

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 N-acyl-alpha amino acids and derivatives

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	N-acyl-alpha amino acids and derivatives
Alternative Parents	Cephems Furoic acid and derivatives 1,3-thiazines Thiazoles Tertiary carboxylic acid amides Heteroaromatic compounds Thioesters Azetidines Carbothioic S-esters Isothioureas Thiohemiaminal derivatives Azacyclic compounds Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Carboximidic acids Carboxylic acids Oxacyclic compounds Monocarboxylic acids and derivatives Dialkylthioethers Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives Organic zwitterions Carbonyl compounds Organic oxides Organic sodium salts
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	N-acyl-alpha amino acid or derivatives - Cephem - Furoic acid or derivatives - Meta-thiazine - Azole - Beta-lactam - Furan - Heteroaromatic compound - Tertiary carboxylic acid amide - Thiazole - Azetidine - Carboxamide group - Isothiourea - Lactam - Thiocarboxylic acid ester - Carbothioic s-ester - Organoheterocyclic compound - Dialkylthioether - Organic 1,3-dipolar compound - Carboximidic acid - Carboximidic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Oxacycle - Azacycle - Organic alkali metal salt - Thiocarboxylic acid or derivatives - Thioether - Hemithioaminal - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Organic sodium salt - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Organic oxide - Organopnictogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organic zwitterion - Organic salt - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom.
External Descriptors	organic molecular entity
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	sodium;(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-(furan-2-carbonylsulfanylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
INCHI	InChI=1S/C19H17N5O7S3.Na/c1-30-23-11(9-7-34-19(20)21-9)14(25)22-12-15(26)24-13(17(27)28)8(5-32-16(12)24)6-33-18(29)10-3-2-4-31-10;/h2-4,7,12,16H,5-6H2,1H3,(H2,20,21)(H,22,25)(H,27,28);/q;+1/p-1/b23-11-;/t12-,16-;/m1./s1
InChIKey	RFLHUYUQCKHUKS-JUODUXDSSA-M
Smiles	CON=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)CSC(=O)C4=CC=CO4)C(=O)[O-].[Na+]
Isomeric SMILES	CO/N=C(/C1=CSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)CSC(=O)C4=CC=CO4)C(=O)[O-].[Na+]
PubChem CID	23671563
Molecular Weight	545.6

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	545.600 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	9
Exact Mass	545.011 Da
Monoisotopic Mass	545.011 Da
Topological Polar Surface Area	259.000 Å²
Heavy Atom Count	35
Formal Charge	0
Complexity	952.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	1
Covalently-Bonded Unit Count	2

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