≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Protected from light,Argon charged Ships Wet ice Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 11 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| ALogP | 0.4 |
|---|
| Canonical Smiles | CC(C)(C(=O)O)ON=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)C[N+]4=CC=CC=C4)C(=O)[O-] |
|---|---|
| IUPAC Name | (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(2-carboxypropan-2-yloxyimino)acetyl]amino]-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate |
| InChIKey | ORFOPKXBNMVMKC-DWVKKRMSSA-N |
| INCHI | 1S/C22H22N6O7S2/c1-22(2,20(33)34)35-26-13(12-10-37-21(23)24-12)16(29)25-14-17(30)28-15(19(31)32)11(9-36-18(14)28)8-27-6-4-3-5-7-27/h3-7,10,14,18H,8-9H2,1-2H3,(H4-,23,24,25,29,31,32,33,34)/b26-13-/t14-,18-/m1/s1 |
| Isomeric SMILES | CC(C)(C(=O)O)O/N=C(/C1=CSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C[N+]4=CC=CC=C4)C(=O)[O-] |
| RTECS | UU2225000 |
| Molecular Weight | 546.57 |
| Reaxy-Rn | 31809277 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=31809277&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| 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 2,4-disubstituted thiazoles 1,3-thiazines Pyridinium derivatives 2-amino-1,3-thiazoles Dicarboxylic acids and derivatives Tertiary carboxylic acid amides Heteroaromatic compounds Secondary carboxylic acid amides Amino acids Azetidines Carboxylic acid salts Dialkylthioethers Carboxylic acids Thiohemiaminal derivatives Azacyclic compounds Organopnictogen compounds Carbonyl compounds Primary amines Organic zwitterions Hydrocarbon derivatives Organic salts Organic oxides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - 2,4-disubstituted 1,3-thiazole - Meta-thiazine - Dicarboxylic acid or derivatives - 1,3-thiazol-2-amine - Pyridine - Pyridinium - Azole - Heteroaromatic compound - Tertiary carboxylic acid amide - Thiazole - Amino acid or derivatives - Azetidine - Carboxamide group - Carboxylic acid salt - Amino acid - Secondary carboxylic acid amide - Thioether - Hemithioaminal - Dialkylthioether - Azacycle - Carboxylic acid derivative - Carboxylic acid - Primary amine - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organopnictogen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Organic salt - Organonitrogen compound - Organic zwitterion - 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 | cephalosporin - oxime O-ether |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 A2607049 | Certificate of Analysis | Aug 05, 2024 | C684460 |
| C2610165 | Certificate of Analysis | Aug 05, 2024 | C684460 |
| D2526044 | Certificate of Analysis | Aug 05, 2024 | C684460 |
| E2620139 | Certificate of Analysis | Aug 05, 2024 | C684460 |
| H2423468 | Certificate of Analysis | Aug 05, 2024 | C684460 |
| H2423469 | Certificate of Analysis | Aug 05, 2024 | C684460 |
| H2423470 | Certificate of Analysis | Aug 05, 2024 | C684460 |
| H2423471 | Certificate of Analysis | Aug 05, 2024 | C684460 |
| H2423472 | Certificate of Analysis | Aug 05, 2024 | C684460 |
| H2423473 | Certificate of Analysis | Aug 05, 2024 | C684460 |
| H2423480 | Certificate of Analysis | Aug 05, 2024 | C684460 |
| H2423481 | Certificate of Analysis | Aug 05, 2024 | C684460 |
| I2512095 | Certificate of Analysis | Aug 05, 2024 | C684460 |
| J2515074 | Certificate of Analysis | Aug 05, 2024 | C684460 |
| Sensitivity | light & air sensitive |
|---|---|
| Molecular Weight | 546.600 g/mol |
| XLogP3 | 0.400 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 8 |
| Exact Mass | 546.099 Da |
| Monoisotopic Mass | 546.099 Da |
| Topological Polar Surface Area | 245.000 Ų |
| Heavy Atom Count | 37 |
| Formal Charge | 0 |
| Complexity | 1020.000 |
| 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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