Cefalonium

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

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Name
Cefalonium
Accession Number
DB11385
Type
Small Molecule
Groups
Experimental, Vet approved
Description
Not Available
Structure
Thumb
Synonyms
  • Cefalonio
  • Cefalonium
  • Cephalonium
External IDs
BRN 4169337 / Lilly 41071
Categories
UNII
K2P920217W
CAS number
5575-21-3
Weight
Average: 458.51
Monoisotopic: 458.071862044
Chemical Formula
C20H18N4O5S2
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

Pharmacology

Indication
Not Available
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
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
Not Available
Food Interactions
Not Available

References

General References
  1. Counter DE: The examination of milk samples for inhibitory substances following dry cow therapy with cephalonium. Vet Rec. 1978 Oct 14;103(16):361. [PubMed:734880]
  2. 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. [PubMed:329542]
  3. 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. [PubMed:20200575]
  4. 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. [PubMed:15887388]
  5. 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. [PubMed:20338434]
  6. 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. [PubMed:21660845]
  7. 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. [PubMed:15971831]
  8. 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. [PubMed:26377164]
  9. 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. [PubMed:6166065]
  10. 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. [PubMed:7216885]
External Links
KEGG Drug
D07634
ChemSpider
20438
ChEBI
95345
ChEMBL
CHEMBL2105567
Wikipedia
Cefalonium

Clinical Trials

Clinical Trials
Not Available

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
PropertyValueSource
Water Solubility0.00345 mg/mLALOGPS
logP-1.2ALOGPS
logP-4.2ChemAxon
logS-5.2ALOGPS
pKa (Strongest Acidic)2.89ChemAxon
pKa (Strongest Basic)-0.85ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area136.51 Å2ChemAxon
Rotatable Bond Count7ChemAxon
Refractivity126.35 m3·mol-1ChemAxon
Polarizability42.47 Å3ChemAxon
Number of Rings4ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

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
Cephalosporin / N-acyl-alpha amino acid or derivatives / Alpha-amino acid or derivatives / Pyridine carboxylic acid or derivatives / Meta-thiazine / Pyridine / Pyridinium / Heteroaromatic compound / Thiophene / Tertiary carboxylic acid amide
show 23 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on February 25, 2016 11:18 / Updated on June 04, 2019 07:20