Showing drug card for Cefacetrile (DB01414)
Legend: drug field target field enzyme field
| Version | 2.5 |
| Creation Date | 2007-07-23 12:31:24 |
| Update Date | 2009-05-05 18:26:16 |
| Primary Accession Number | DB01414 |
| Secondary Accession Number | Not Available |
| Name | Cefacetrile |
| Drug Type |
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| Description | A derivative of 7-aminocephalosporanic acid. |
| Synonyms |
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| Brand Names |
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| Brand Mixtures | Not Available |
| Chemical IUPAC Name | (6R,7R)-3-(acetyloxymethyl)-7-[(2-cyanoacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
| Chemical Formula | C13H13N3O6S |
| Chemical Structure | |
| CAS Registry Number | 10206-21-0 |
| InChI Identifier | InChI=1/C13H13N3O6S/c1-6(17)22-4-7-5-23-12-9(15-8(18)2-3-14)11(19)16(12)10(7)13(20)21/h9,12H,2,4-5H2,1H3,(H,15,18)(H,20,21)/t9-,12-/m1/s1/f/h15,20H |
| InChI Key | RRYMAQUWDLIUPV-GFFDLXNODK |
| KEGG Drug | D07629  |
| KEGG Compound | Not Available |
| PubChem Compound | 91562 |
| PubChem Substance | 10224877 |
| ChEBI ID | Not Available |
| PharmGKB ID | Not Available |
| HET ID | Not Available |
| GenBank ID | Not Available |
| Drug ID Number [DIN] | Not Available |
| RxList Link | Not Available |
| PDRhealth Link | Not Available |
| Wikipedia Link | http://en.wikipedia.org/wiki/Cefacetrile |
| FDA Label | Not Available |
| Material Safety Data Sheet (MSDS) | Not Available |
| Synthesis Reference | Not Available |
| Average Molecular Weight | 339.3240 |
| Monoisotopic Molecular Weight | 339.0525 |
| State | Solid |
| Melting Point | Not Available |
| Experimental Water Solubility | Not Available Source: PhysProp |
| Predicted Water Solubility | 2.43e+00 mg/mL Calculated using ALOGPS |
| Experimental LogP/Hydrophobicity | -0.45 [HANSCH,C ET AL. (1995)] Source: PhysProp |
| Predicted LogP | -0.52 Calculated using ALOGPS |
| Experimental LogS | Not Available |
| Predicted LogS | -2.15 Calculated using ALOGPS |
| Experimental Caco2 Permeability | Not Available |
| pKa/Isoelectric Point | Not Available |
| Mass Spectrum | Not Available |
| MOL File | Show | Download |
| SDF File | Show | Download |
| PDB File | Show | Download |
| 2D Structure | |
| 3D Structure | |
| Experimental PDB ID | Not Available |
| Isomeric SMILES | CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)CC#N)C2=O)C(O)=O |
| Canonical SMILES | CC(=O)OCC1=C(N2C(SC1)C(NC(=O)CC#N)C2=O)C(O)=O |
| Drug Category |
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| ATC Codes | |
| AHFS Codes | Not Available |
| Indication | Not Available |
| Pharmacology | Not Available |
| Mechanism of Action | Not Available |
| Absorption | Not Available |
| Toxicity | Not Available |
| Protein Binding | 23 to 38% |
| Biotransformation | Not Available |
| Half Life | 1.2 hours |
| Dosage Forms | Not Available |
| Patient Information | Not Available |
| Contraindications | Not Available |
| Interactions | Not Available |
| Drug Interactions | Not Available |
| Food Interactions | Not Available |
| Pathways | Not Available |
| General References | |
| Organisms Affected |
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