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· · COA & SDS available for every product · Same-day shipping on in-stock items Cefatrizine - Moligand™ , CAS No.51627-14-6
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
Cefatrizinum [INN-Latin] | D02406 | DB13266 | DTXCID902752 | (6R,7R)-3-(((1H-1,2,3-Triazol-5-yl)thio)methyl)-7-((R)-2-amino-2-(4-hydroxyphenyl)acetamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid | CEFATRIZINE | Cefatrizino [INN-Spanish]
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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 Normal 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 Synonyms
Cefatrizinum [INN-Latin] | D02406 | DB13266 | DTXCID902752 | (6R, 7R)-3-(((1H-1, 2, 3-Triazol-5-yl)thio)methyl)-7-((R)-2-amino-2-(4-hydroxyphenyl)acetamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid | CEFATRIZINE | Cefatrizino [INN-Spanish]
Specifications & Purity
Moligand™
Names and Identifiers Canonical Smiles C1C(=C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=C(C=C3)O)N)C(=O)O)CSC4=NNN=C4 IUPAC Name (6R,7R)-7-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-8-oxo-3-(2H-triazol-4-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid InChIKey UOCJDOLVGGIYIQ-PBFPGSCMSA-N INCHI 1S/C18H18N6O5S2/c19-12(8-1-3-10(25)4-2-8)15(26)21-13-16(27)24-14(18(28)29)9(7-31-17(13)24)6-30-11-5-20-23-22-11/h1-5,12-13,17,25H,6-7,19H2,(H,21,26)(H,28,29)(H,20,22,23)/t12-,13-,17-/m1/s1 Isomeric SMILES C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=C(C=C3)O)N)C(=O)O)CSC4=NNN=C4 Molecular Weight 462.5 Reaxy-Rn 26020850 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=26020850&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 Kingdom Organic compounds Superclass Organoheterocyclic compounds Class Lactams Subclass Beta lactams Intermediate Tree Nodes Cephems Direct Parent Cephalosporins Alternative Parents N-acyl-alpha amino acids and derivatives Alpha amino acid amides Phenylacetamides 1-hydroxy-2-unsubstituted benzenoids Alkylarylthioethers Aralkylamines 1,3-thiazines Triazoles Tertiary carboxylic acid amides Heteroaromatic compounds Secondary carboxylic acid amides Amino acids Azetidines Thiohemiaminal derivatives Sulfenyl compounds Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Dialkylthioethers Organic oxides Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds Monoalkylamines Molecular Framework Aromatic heteropolycyclic compounds Substituents Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Phenylacetamide - Alpha-amino acid or derivatives - Aryl thioether - Phenol - Alkylarylthioether - Aralkylamine - 1-hydroxy-2-unsubstituted benzenoid - Meta-thiazine - Benzenoid - Monocyclic benzene moiety - Tertiary carboxylic acid amide - 1,2,3-triazole - Heteroaromatic compound - Azole - Amino acid or derivatives - Azetidine - Amino acid - Carboxamide group - Secondary carboxylic acid amide - Dialkylthioether - Hemithioaminal - Thioether - Sulfenyl compound - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Organosulfur compound - Hydrocarbon derivative - Primary aliphatic amine - Amine - Carbonyl group - Organopnictogen compound - Organic oxide - Organic oxygen compound - Primary amine - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound Description 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.
3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 462.500 g/mol XLogP3 -2.300 Hydrogen Bond Donor Count 5 Hydrogen Bond Acceptor Count 10 Rotatable Bond Count 7 Exact Mass 462.078 Da Monoisotopic Mass 462.078 Da Topological Polar Surface Area 225.000 Ų Heavy Atom Count 31 Formal Charge 0 Complexity 775.000 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 1
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