| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-05-22 03:38:31 UTC |
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| Update Date | 2016-11-09 01:15:26 UTC |
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| Accession Number | CHEM016614 |
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| Identification |
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| Common Name | Cefixime |
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| Class | Small Molecule |
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| Description | |
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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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| Cefixime trihydrate | MeSH | | Cefixime anhydrous | MeSH | | Suprax | MeSH | | Cefixime | MeSH | | Anhydrous, cefixime | MeSH | | 027, FK | MeSH | | Trihydrate, cefixime | MeSH |
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| Chemical Formula | C16H15N5O7S2 |
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| Average Molecular Mass | 453.440 g/mol |
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| Monoisotopic Mass | 453.041 g/mol |
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| CAS Registry Number | 79350-37-1 |
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| IUPAC Name | (6R,7R)-7-{[(2E)-2-[(carboxymethoxy)imino]-1-hydroxy-2-(2-imino-2,3-dihydro-1,3-thiazol-4-yl)ethylidene]amino}-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
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| Traditional Name | (6R,7R)-7-{[(2E)-2-[(carboxymethoxy)imino]-1-hydroxy-2-(2-imino-3H-1,3-thiazol-4-yl)ethylidene]amino}-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
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| SMILES | [H][C@]12SCC(C=C)=C(N1C(=O)[C@@]2([H])N=C(O)C(=N\OCC(O)=O)\C1=CSC(=N)N1)C(O)=O |
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| InChI Identifier | InChI=1S/C16H15N5O7S2/c1-2-6-4-29-14-10(13(25)21(14)11(6)15(26)27)19-12(24)9(20-28-3-8(22)23)7-5-30-16(17)18-7/h2,5,10,14H,1,3-4H2,(H2,17,18)(H,19,24)(H,22,23)(H,26,27)/b20-9+/t10-,14-/m1/s1 |
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| InChI Key | OKBVVJOGVLARMR-VINNURBNSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as cephalosporins. Cephalosporins 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. |
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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 | Cephalosporins |
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| Alternative Parents | |
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| 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
- Heteroaromatic compound
- Azole
- Tertiary carboxylic acid amide
- Thiazole
- Amino acid or derivatives
- Amino acid
- Azetidine
- Carboxamide group
- Secondary carboxylic acid amide
- Carboxylic acid
- Azacycle
- Carboxylic acid derivative
- Dialkylthioether
- Hemithioaminal
- Thioether
- Organic nitrogen compound
- Organonitrogen compound
- Organooxygen compound
- Carbonyl group
- Primary amine
- Hydrocarbon derivative
- Organic oxide
- Amine
- Organopnictogen 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 | splash10-05g0-3981700000-0c2f301f24b5adba2cbf | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-05i1-5951100000-9385d5d495e0f367c6b3 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0adj-9411000000-0346c1c405e5c5122897 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-001i-0092300000-f98423cbb9591b30fdf8 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0pl0-1594100000-5505dd4b7b7ab3cd90c6 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0006-9210000000-b6da4617f0bff5318ac7 | 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 | 6321411 |
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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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