Skip to the beginning of the images gallery

cefclidin , CAS No.105239-91-6

COA

Grade & Purity:

Moligand™

Cas Number: 105239-91-6
PubChem CID: 6537446

In stock

Item Number

C608448

Grouped product items
SKU	Size	Availability	Price	Qty
C608448-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,334.90
C608448-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,000.90

Basic Description

Synonyms	1-Azoniabicyclo(2.2.2)octane, 4-(aminocarbonyl)-1-((7-(((5-amino-1,2,4-thiadiazol-3-yl)(methoxyimino)acetyl)amino)-2-carboxy-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methyl)-, hydroxide, inner salt, (6R-(6alpha,7beta(Z)))- \| 1-Azoniabicyclo(2.2.2)oct
Specifications & Purity	Moligand™
Grade	Moligand™

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Lactams
    - Subclass Beta lactams
      - Level5 Cephems
        Level6 Cephalosporins
        Level7 3'-quaternary ammonium cephalosporins

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Lactams
Subclass	Beta lactams
Intermediate Tree Nodes	Cephems - Cephalosporins
Direct Parent	3'-quaternary ammonium cephalosporins
Alternative Parents	N-acyl-alpha amino acids and derivatives Piperidinecarboxamides Quinuclidines 1,3-thiazines Thiadiazoles Tetraalkylammonium salts Tertiary carboxylic acid amides Heteroaromatic compounds Secondary carboxylic acid amides Primary carboxylic acid amides Amino acids Azetidines Carboxylic acid salts Thiohemiaminal derivatives Azacyclic compounds Carboxylic acids Dialkylthioethers Monocarboxylic acids and derivatives Primary amines Organic zwitterions Organopnictogen compounds Organic salts Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	3'-quaternary ammonium cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Piperidinecarboxamide - Quinuclidine - Meta-thiazine - Piperidine - Azole - Tetraalkylammonium salt - Heteroaromatic compound - Quaternary ammonium salt - Tertiary carboxylic acid amide - Thiadiazole - Amino acid or derivatives - Azetidine - Carboxamide group - Carboxylic acid salt - Amino acid - Primary carboxylic acid amide - Secondary carboxylic acid amide - Hemithioaminal - Thioether - Dialkylthioether - Azacycle - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Amine - Carbonyl group - Organic salt - Organopnictogen compound - Hydrocarbon derivative - Organic zwitterion - Primary amine - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as 3'-quaternary ammonium cephalosporins. These are cephalosporins that are substituted at the 3'-position by a quaternary ammonium group.
External Descriptors	cephalosporin
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

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	(6R,7R)-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methoxyiminoacetyl]amino]-3-[(4-carbamoyl-1-azoniabicyclo[2.2.2]octan-1-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
INCHI	InChI=1S/C21H26N8O6S2/c1-35-26-11(14-25-20(23)37-27-14)15(30)24-12-16(31)28-13(18(32)33)10(9-36-17(12)28)8-29-5-2-21(3-6-29,4-7-29)19(22)34/h12,17H,2-9H2,1H3,(H5-,22,23,24,25,27,30,32,33,34)/b26-11-/t12-,17-,21?,29?/m1/s1
InChIKey	JUVHVMCKLDZLGN-TVNFHGJBSA-N
Smiles	CO/N=C(/c1nsc(n1)N)\C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)[O-])C[N+]12CCC(CC1)(CC2)C(=O)N
Isomeric SMILES	CO/N=C(/C1=NSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C[N+]45CCC(CC4)(CC5)C(=O)N)C(=O)[O-]
PubChem CID	6537446

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	550.600 g/mol
XLogP3	-1.400
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	7
Exact Mass	550.142 Da
Monoisotopic Mass	550.142 Da
Topological Polar Surface Area	260.000 Å²
Heavy Atom Count	37
Formal Charge	0
Complexity	1070.000
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	1

Solution Calculators

Molarity Calculator

Determine the necessary mass, volume, or concentration for preparing a solution.

Mass

Concentration

Volume

M. Wt*

g/mol

*When preparing stock solutions, always use the batch-specific molecular weight of the product found on the vial label and the Certificate of Analysis (available online).

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

Concentration 1 (C1)

Volume 1 (V1)

Concentration 2 (C2)

Volume 2 (V2)

Reconstitution Calculator

The reconstitution calculator enables you to quickly determine the volume of a reagent needed to reconstitute your vial. Just enter the mass of the reagent and the target concentration, and the calculator will do the rest.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration