Application
A fourth generation cephalosporin antibiotic
| Sonrisas canónicas | CON=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)C[N+]4=CC=CC5=C4CCC5)C(=O)[O-].OS(=O)(=O)O |
|---|---|
| IUPAC Name | (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-(6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium-1-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;sulfuric acid |
| InChIKey | RKTNPKZEPLCLSF-QHBKFCFHSA-N |
| INCHI | 1S/C22H22N6O5S2.H2O4S/c1-33-26-15(13-10-35-22(23)24-13)18(29)25-16-19(30)28-17(21(31)32)12(9-34-20(16)28)8-27-7-3-5-11-4-2-6-14(11)27;1-5(2,3)4/h3,5,7,10,16,20H,2,4,6,8-9H2,1H3,(H3-,23,24,25,29,31,32);(H2,1,2,3,4)/b26-15-;/t16-,20-;/m1./s1 |
| Isómeros SMILES | CO/N=C(/C1=CSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C[N+]4=CC=CC5=C4CCC5)C(=O)[O-].OS(=O)(=O)O |
| PubChem CID | 11954008 |
| Peso molecular | 612.65 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Clase | Carboxylic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Intermediate Tree Nodes | Amino acids and derivatives - Alpha amino acids and derivatives |
| Direct Parent | N-acyl-alpha amino acids and derivatives |
| Alternative Parents | Cephems 1,3-thiazines Pyridinium derivatives Organic sulfuric acids Thiazoles Tertiary carboxylic acid amides Heteroaromatic compounds Azetidines Carboxylic acid salts Isothioureas Thiohemiaminal derivatives Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Carboximidic acids Carboxylic acids Dialkylthioethers Monocarboxylic acids and derivatives Organonitrogen compounds Organopnictogen compounds Organic zwitterions Hydrocarbon derivatives Organic salts Carbonyl compounds Organic oxides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | N-acyl-alpha amino acid or derivatives - Cephem - Sulfuric acid - Meta-thiazine - Pyridinium - Pyridine - Tertiary carboxylic acid amide - Azole - Beta-lactam - Thiazole - Heteroaromatic compound - Organic sulfuric acid or derivatives - Lactam - Isothiourea - Carboxylic acid salt - Carboxamide group - Azetidine - Carboximidic acid - Carboximidic acid derivative - Azacycle - Carboxylic acid - Organoheterocyclic compound - Dialkylthioether - Monocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Hemithioaminal - Thioether - Organic oxide - Organic salt - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic zwitterion - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organopnictogen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom. |
| External Descriptors | Not available |
| Sensibilidad | Hygroscopic,Heat Sensitive |
|---|---|
| Rotación específica [α] | -30° (C=2.5,JP Method) |
| Punto de fusión (°C) | 200 °C |
| Peso molecular | 612.700 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 14 |
| Rotatable Bond Count | 6 |
| Exact Mass | 612.077 Da |
| Monoisotopic Mass | 612.077 Da |
| Topological Polar Surface Area | 290.000 Ų |
| Heavy Atom Count | 40 |
| Formal Charge | 0 |
| Complexity | 1040.000 |
| 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 | 2 |
