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Showing drug card for Cefacetrile (DB01414)

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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
  • Approved
  • Small Molecule
Description A derivative of 7-aminocephalosporanic acid.
Synonyms
  1. 7-Cyanacetylamino-cephalosporansaeure
  2. Cefacetrilo [inn-spanish]
  3. Cefacetrilum [inn-latin]
  4. Cephacetrile
Brand Names
  1. Celospor
  2. Celtol
  3. Cristacef
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 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 Link Image
KEGG Compound Not Available
PubChem Compound 91562 Link Image
PubChem Substance 10224877 Link Image
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 Link Image
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 Link Image | Download Link Image
SDF File Show Link Image | Download Link Image
PDB File Show Link Image | Download Link Image
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
  • Anti-Bacterial Agents
  • Cephalosporins
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
  1. Wikipedia Link Image
Organisms Affected
  • Enteric bacteria and other eubacteria

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