Cefalonium
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Cefalonium
- DrugBank Accession Number
- DB11385
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental, Vet approved
- Structure
- Weight
- Average: 458.51
Monoisotopic: 458.071862044 - Chemical Formula
- C20H18N4O5S2
- Synonyms
- Cefalonio
- Cefalonium
- Cephalonium
- External IDs
- BRN 4169337
- Lilly 41071
Pharmacology
- Indication
Not Available
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- Pharmacodynamics
Not Available
- Mechanism of action
- Not Available
- Absorption
Not Available
- Volume of distribution
Not Available
- Protein binding
Not Available
- Metabolism
- Not Available
- Route of elimination
Not Available
- Half-life
Not Available
- Clearance
Not Available
- Adverse Effects
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- Toxicity
Not Available
- Pathways
- Not Available
- Pharmacogenomic Effects/ADRs
- Not Available
Interactions
- Drug Interactions
- This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.Not Available
- Food Interactions
- Not Available
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- 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.
- Kingdom
- Organic compounds
- Super Class
- Organoheterocyclic compounds
- Class
- Lactams
- Sub Class
- Beta lactams
- Direct Parent
- Cephalosporins
- Alternative Parents
- N-acyl-alpha amino acids and derivatives / Pyridinecarboxylic acids and derivatives / 1,3-thiazines / Pyridinium derivatives / Thiophenes / Tertiary carboxylic acid amides / Heteroaromatic compounds / Secondary carboxylic acid amides / Primary carboxylic acid amides / Azetidines show 13 more
- Substituents
- Alpha-amino acid or derivatives / Aromatic heteropolycyclic compound / Azacycle / Azetidine / Carbonyl group / Carboxamide group / Carboxylic acid / Carboxylic acid derivative / Carboxylic acid salt / Cephalosporin show 23 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- K2P920217W
- CAS number
- 5575-21-3
- InChI Key
- FMZXNVLFJHCSAF-DNVCBOLYSA-N
- InChI
- InChI=1S/C20H18N4O5S2/c21-17(26)11-3-5-23(6-4-11)9-12-10-31-19-15(18(27)24(19)16(12)20(28)29)22-14(25)8-13-2-1-7-30-13/h1-7,15,19H,8-10H2,(H3-,21,22,25,26,28,29)/t15-,19-/m1/s1
- IUPAC Name
- 4-carbamoyl-1-{[(6R,7R)-2-carboxylato-8-oxo-7-[2-(thiophen-2-yl)acetamido]-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl}pyridin-1-ium
- SMILES
- [H][C@]12SCC(C[N+]3=CC=C(C=C3)C(N)=O)=C(N1C(=O)[C@H]2NC(=O)CC1=CC=CS1)C([O-])=O
References
- General References
- Counter DE: The examination of milk samples for inhibitory substances following dry cow therapy with cephalonium. Vet Rec. 1978 Oct 14;103(16):361. [Article]
- Curtis R, Hendy PG, Watson DJ, Harris AM, Davies AM, Marshall MJ: A cerate containing cephalonium for the prophylaxis of dry udder infections in dairy cows. Vet Rec. 1977 Jun 25;100(26):557-60. [Article]
- McDougall S: A randomised, non-inferiority trial of a new cephalonium dry-cow therapy. N Z Vet J. 2010 Feb;58(1):45-58. doi: 10.1080/00480169.2010.65060. [Article]
- Shephard RW, Burman S, Marcun P: A comparative field trial of cephalonium and cloxacillin for dry cow therapy for mastitis in Australian dairy cows. Aust Vet J. 2004 Oct;82(10):624-9. [Article]
- Bradley AJ, Breen JE, Payne B, Williams P, Green MJ: The use of a cephalonium containing dry cow therapy and an internal teat sealant, both alone and in combination. J Dairy Sci. 2010 Apr;93(4):1566-77. doi: 10.3168/jds.2009-2725. [Article]
- Bryan MA, Heuer C, Emslie FR: The comparative efficacy of two long-acting dry-cow cephalonium products in curing and preventing intramammary infections. N Z Vet J. 2011 Jul;59(4):166-73. doi: 10.1080/00480169.2011.579245. [Article]
- Wraight MD: A comparative field trial of cephalonium and cloxacillin for dry cow therapy for mastitis in Australian dairy cows. Aust Vet J. 2005 Jan-Feb;83(1-2):103; author reply 103-4. [Article]
- Bates AJ, Chambers G, Laven RA: Comparison of cephalonium alone and in combination with an internal teat sealant for dry cow therapy in seasonally calving dairy cows. N Z Vet J. 2016 Mar;64(2):95-100. doi: 10.1080/00480169.2015.1093970. Epub 2015 Oct 29. [Article]
- Ziv G, Storper M, Saran A: Comparative efficacy of three antibiotic products for the treatment and prevention of subclinical mastitis during the dry period. Vet Q. 1981 Apr;3(2):74-9. [Article]
- Ziv G: Availability and usage of new antibacterial drugs in Europe. J Am Vet Med Assoc. 1980 May 15;176(10 Spec No):1122-8. [Article]
- External Links
- KEGG Drug
- D07634
- ChemSpider
- 20438
- ChEBI
- 95345
- ChEMBL
- CHEMBL2105567
- Wikipedia
- Cefalonium
Clinical Trials
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.00345 mg/mL ALOGPS logP -1.2 ALOGPS logP -4.2 Chemaxon logS -5.2 ALOGPS pKa (Strongest Acidic) 2.89 Chemaxon pKa (Strongest Basic) -0.85 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 136.51 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 126.35 m3·mol-1 Chemaxon Polarizability 42.47 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 211.4516608 predictedDarkChem Lite v0.1.0 [M-H]- 194.1964 predictedDeepCCS 1.0 (2019) [M+H]+ 210.3445608 predictedDarkChem Lite v0.1.0 [M+H]+ 196.59196 predictedDeepCCS 1.0 (2019) [M+Na]+ 209.9376608 predictedDarkChem Lite v0.1.0 [M+Na]+ 203.29234 predictedDeepCCS 1.0 (2019)
Drug created at February 25, 2016 18:18 / Updated at February 21, 2021 18:53