| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-05-22 03:38:39 UTC |
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| Update Date | 2016-11-09 01:15:26 UTC |
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| Accession Number | CHEM016620 |
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| Identification |
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| Common Name | Cefuroxime |
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| Class | Small Molecule |
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| Description | Not Available |
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| Contaminant Sources | - HMDB Contaminants - Urine
- STOFF IDENT Compounds
- ToxCast & Tox21 Chemicals
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| Contaminant Type | Not Available |
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| Chemical Structure | |
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| Synonyms | | Value | Source |
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| (6R,7R)-7-{[2-(furan-2-yl)-1-hydroxy-2-(methoxyimino)ethylidene]amino}-3-[(C-hydroxycarbonimidoyloxy)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate | Generator | | Cefuroxime | MeSH | | Zinacef | MeSH | | Cephuroxime | MeSH | | Ketocef | MeSH |
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| Chemical Formula | C16H16N4O8S |
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| Average Molecular Mass | 424.380 g/mol |
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| Monoisotopic Mass | 424.069 g/mol |
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| CAS Registry Number | 55268-75-2 |
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| IUPAC Name | (6R,7R)-7-{[2-(furan-2-yl)-1-hydroxy-2-(methoxyimino)ethylidene]amino}-3-[(C-hydroxycarbonimidoyloxy)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
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| Traditional Name | (6R,7R)-7-{[2-(furan-2-yl)-1-hydroxy-2-(methoxyimino)ethylidene]amino}-3-[(C-hydroxycarbonimidoyloxy)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
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| SMILES | [H][C@]12SCC(COC(O)=N)=C(N1C(=O)[C@@]2([H])N=C(O)C(=NOC)C1=CC=CO1)C(O)=O |
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| InChI Identifier | InChI=1S/C16H16N4O8S/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20/h2-4,10,14H,5-6H2,1H3,(H2,17,25)(H,18,21)(H,23,24)/t10-,14-/m1/s1 |
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| InChI Key | JFPVXVDWJQMJEE-QMTHXVAHSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as cephalosporin 3'-carbamates. These are cephalosporins that are substituted at the 3'-position by a carbamate group. |
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| Kingdom | Organic compounds |
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| Super Class | Organoheterocyclic compounds |
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| Class | Lactams |
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| Sub Class | Beta lactams |
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| Direct Parent | Cephalosporin 3'-carbamates |
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| Alternative Parents | |
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| Substituents | - Cephalosporin 3'-carbamate
- N-acyl-alpha amino acid or derivatives
- Alpha-amino acid or derivatives
- Meta-thiazine
- Furan
- Heteroaromatic compound
- Carbamic acid ester
- Tertiary carboxylic acid amide
- Azetidine
- Carboxamide group
- Carbonic acid derivative
- Secondary carboxylic acid amide
- Carboxylic acid derivative
- Carboxylic acid
- Monocarboxylic acid or derivatives
- Oxacycle
- Azacycle
- Dialkylthioether
- Hemithioaminal
- Thioether
- Hydrocarbon derivative
- Organopnictogen compound
- Carbonyl group
- Organonitrogen compound
- Organooxygen compound
- Organic oxide
- Organic nitrogen compound
- Organic oxygen compound
- Aromatic heteropolycyclic compound
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| Molecular Framework | Aromatic heteropolycyclic compounds |
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| External Descriptors | Not Available |
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| Biological Properties |
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| Status | Detected and Not Quantified |
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| Origin | Not Available |
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| Cellular Locations | Not Available |
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| Biofluid Locations | Not Available |
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| Tissue Locations | Not Available |
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| Pathways | Not Available |
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| Applications | Not Available |
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| Biological Roles | Not Available |
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| Chemical Roles | Not Available |
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| Physical Properties |
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| State | Not Available |
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| Appearance | Not Available |
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| Experimental Properties | | Property | Value |
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| Melting Point | Not Available | | Boiling Point | Not Available | | Solubility | Not Available |
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| Predicted Properties | |
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| Spectra |
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| Spectra | | Spectrum Type | Description | Splash Key | View |
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| Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0ar0-2192200000-206265fb15a436edf6ac | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0avi-4293000000-c8a2cea122e40dacb6e8 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0aou-9561000000-9cb40ec2c90933d73f88 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-052f-9262100000-c572c9da887b9e4fe33c | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0006-9210000000-469bbe70e6e9b2ae098d | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0006-9100000000-6a9d50ea1c4e799bc865 | Spectrum |
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| Toxicity Profile |
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| Route of Exposure | Not Available |
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| Mechanism of Toxicity | Not Available |
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| Metabolism | Not Available |
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| Toxicity Values | Not Available |
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| Lethal Dose | Not Available |
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| Carcinogenicity (IARC Classification) | Not Available |
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| Uses/Sources | Not Available |
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| Minimum Risk Level | Not Available |
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| Health Effects | Not Available |
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| Symptoms | Not Available |
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| Treatment | Not Available |
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| Concentrations |
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| Not Available |
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| External Links |
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| DrugBank ID | Not Available |
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| HMDB ID | Not Available |
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| FooDB ID | Not Available |
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| Phenol Explorer ID | Not Available |
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| KNApSAcK ID | Not Available |
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| BiGG ID | Not Available |
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| BioCyc ID | Not Available |
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| METLIN ID | Not Available |
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| PDB ID | Not Available |
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| Wikipedia Link | Not Available |
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| Chemspider ID | Not Available |
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| ChEBI ID | Not Available |
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| PubChem Compound ID | Not Available |
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| Kegg Compound ID | Not Available |
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| YMDB ID | Not Available |
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| ECMDB ID | Not Available |
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| References |
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| Synthesis Reference | Not Available |
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| MSDS | Not Available |
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| General References | Not Available |
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