Cefotetan disodiumProduct ingredient for Cefotetan
- Name
- Cefotetan disodium
- Drug Entry
- Cefotetan
A semisynthetic cephamycin antibiotic that is administered intravenously or intramuscularly. The drug is highly resistant to a broad spectrum of beta-lactamases and is active against a wide range of both aerobic and anaerobic gram-positive and gram-negative microorganisms.
- Accession Number
- DBSALT001161
- Structure
Structure for Cefotetan disodium (DBSALT001161)
- Synonyms
- Cefotan
- UNII
- 0GXP746VXB
- CAS Number
- 74356-00-6
- Weight
- Average: 619.57
Monoisotopic: 618.96603373 - Chemical Formula
- C17H15N7Na2O8S4
- InChI Key
- ZQQALMSFFARWPK-GLHLDKNHSA-L
- InChI
- InChI=1S/C17H17N7O8S4.2Na/c1-23-16(20-21-22-23)34-4-5-3-33-15-17(32-2,14(31)24(15)7(5)11(29)30)19-9(26)13-35-12(36-13)6(8(18)25)10(27)28;;/h13,15H,3-4H2,1-2H3,(H2,18,25)(H,19,26)(H,27,28)(H,29,30);;/q;2*+1/p-2/b12-6-;;/t13?,15-,17+;;/m1../s1
- IUPAC Name
- disodium (6R,7S)-7-{4-[carbamoyl(carboxy)methylidene]-1,3-dithietane-2-amido}-7-methoxy-3-{[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
- SMILES
- [Na+].[Na+].CO[C@]1(NC(=O)C2SC(S2)=C(C(N)=O)C([O-])=O)[C@H]2SCC(CSC3=NN=NN3C)=C(N2C1=O)C([O-])=O
- External Links
- KEGG Compound
- C14007
- ChemSpider
- 47903
- ChEBI
- 34617
- ChEMBL
- CHEMBL1201098
- Wikipedia
- Cefotetan
- Predicted Properties
Property Value Source Water Solubility 1.96 mg/mL ALOGPS logP 0.62 ALOGPS logP -0.38 Chemaxon logS -2.5 ALOGPS pKa (Strongest Acidic) 3.23 Chemaxon pKa (Strongest Basic) -1.4 Chemaxon Physiological Charge -2 Chemaxon Hydrogen Acceptor Count 11 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 225.59 Å2 Chemaxon Rotatable Bond Count 9 Chemaxon Refractivity 175.23 m3·mol-1 Chemaxon Polarizability 51.88 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon