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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items cefclidin - Moligand™ , CAS No.105239-91-6
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. 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
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Why this grade Moligand™ Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships 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.
Specifications Sinónimos
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
Especificaciones y pureza
Moligand™
Condiciones de almacenamiento de almacenamiento
Room temperature
Nombres e identificadores Sonrisas canónicas 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 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 InChIKey JUVHVMCKLDZLGN-TVNFHGJBSA-N 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 Isómeros 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
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 Kingdom Organic compounds Superclass Organoheterocyclic compounds Clase 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 Descripción 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 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.
Estructura 3D Mecanismos de acción Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Peso molecular 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 Ų 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
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Reconstitution Calculator Reseñas Need help choosing the grade? Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.
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