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· · COA & SDS Disponibile per ogni prodotto · Spedizione lo stesso giorno su articoli in magazzino Cefalonium , CAS No.5575-21-3
Synonyms
CEFALONIUM | HMS2098G13 | AB00513991_02 | BRN 4169337 | 3-[(4-carbamoylpyridin-1-ium-1-yl)methyl]-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate | K2P920217W | DTXCID3025388 | DB11385 | DTXSID5045388 | NCGC00179310-
Shipped In
Ice chest + Ice pads
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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.
Specifications Sinonimi
CEFALONIUM | HMS2098G13 | AB00513991_02 | BRN 4169337 | 3-[(4-carbamoylpyridin-1-ium-1-yl)methyl]-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate | K2P920217W | DTXCID3025388 | DB11385 | DTXSID5045388 | NCGC00179310-
Condizioni di conservazione di stoccaggio
Store at -20°C
Spedito in
Ice chest + Ice pads
Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.
Nomi e identificatori Sorrisi canonici C1C(=C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CS3)C(=O)[O-])C[N+]4=CC=C(C=C4)C(=O)N IUPAC Name (6R,7R)-3-[(4-carbamoylpyridin-1-ium-1-yl)methyl]-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate InChIKey FMZXNVLFJHCSAF-DNVCBOLYSA-N INCHI 1S/C20H18N4O5S2/c21-17(26)11-3-5-23(6-4-11)9-12-10-31-19-15(18(27)24(19)16(12)20(28)29)22-14(25)8-13-2-1-7-30-13/h1-7,15,19H,8-10H2,(H3-,21,22,25,26,28,29)/t15-,19-/m1/s1 Isomeri SMILES C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CS3)C(=O)[O-])C[N+]4=CC=C(C=C4)C(=O)N Peso molecolare 458.51 Beilstein 4169337 Reaxy-Rn 4169337 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4169337&ln=
Documentazione 📋 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 Classe Lactams Subclass Beta lactams Intermediate Tree Nodes Cephems Direct Parent Cephalosporins Alternative Parents N-acyl-alpha amino acids and derivatives Pyridinecarboxylic acids and derivatives 1,3-thiazines Pyridinium derivatives Thiophenes Tertiary carboxylic acid amides Heteroaromatic compounds Secondary carboxylic acid amides Primary carboxylic acid amides Azetidines Carboxylic acid salts Thiohemiaminal derivatives Azacyclic compounds Carboxylic acids Dialkylthioethers Monocarboxylic acids and derivatives Carbonyl compounds Organopnictogen compounds Organic zwitterions Hydrocarbon derivatives Organonitrogen compounds Organic salts Organic oxides Molecular Framework Aromatic heteropolycyclic compounds Substituents Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Pyridine carboxylic acid or derivatives - Meta-thiazine - Pyridine - Pyridinium - Heteroaromatic compound - Thiophene - Tertiary carboxylic acid amide - Azetidine - Carboxamide group - Carboxylic acid salt - Primary carboxylic acid amide - Secondary carboxylic acid amide - Carboxylic acid derivative - Carboxylic acid - Azacycle - Monocarboxylic acid or derivatives - Dialkylthioether - Hemithioaminal - Thioether - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic salt - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic zwitterion - Organic oxide - Organic nitrogen compound - Aromatic heteropolycyclic compound Descrizione This compound belongs to the class of organic compounds known as cephalosporins. These are compounds containing a 1,2-thiazine fused to a 2-azetidinone to for a oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid moiety or a derivative thereof. 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.
Struttura 3D Obiettivi associati (non umani) Meccanismi d'azione Certificati (CoA, COO, BSE/TSE e tabella di analisi) Proprietà chimiche e fisiche Solubilità practically insoluble in water. Punto di fusione (°C) 147-150° C Peso molecolare 458.500 g/mol XLogP3 0.700 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 7 Rotatable Bond Count 6 Exact Mass 458.072 Da Monoisotopic Mass 458.072 Da Topological Polar Surface Area 190.000 Ų Heavy Atom Count 31 Formal Charge 0 Complexity 806.000 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
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