Ceftizoxime sodium (CHEM019145)

IdentificationTaxonomyBiological PropertiesPhysical PropertiesToxicity ProfileSpectraConcentrationsLinksReferencesXML
Record Information
Version1.0
Creation Date2016-05-22 05:51:24 UTC
Update Date2016-11-09 01:15:56 UTC
Accession NumberCHEM019145
Identification
Common NameCeftizoxime sodium
ClassSmall Molecule
DescriptionThe sodium salt of ceftizoxime.
Contaminant Sources
  • ToxCast & Tox21 Chemicals
Contaminant TypeNot Available
Chemical Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
Ceftizoxim-natriumChEBI
CZXChEBI
CefizoxKegg
EpocelinKegg
SK And F 883732MeSH
Fujiwasa brand OF cetizoxime sodiumMeSH
Monosodium salt, ceftizoximeMeSH
CeftizoximeMeSH
GlaxoSmithKline brand OF cetizoxime sodiumMeSH
SK And F 88373 2MeSH
Ceftizoxime monosodium saltMeSH
Sodium, ceftizoximeMeSH
Yamanouchi brand OF ceftizoxime sodiumMeSH
Salt, ceftizoxime monosodiumMeSH
SK And F 88373-2MeSH
Chemical FormulaC13H12N5NaO5S2
Average Molecular Mass405.380 g/mol
Monoisotopic Mass405.018 g/mol
CAS Registry Number68401-82-1
IUPAC Namesodium (2Z)-N-[(6R,7R)-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]-2-(2-imino-2,3-dihydro-1,3-thiazol-4-yl)-2-(methoxyimino)ethanecarboximidate
Traditional Namesodium (2Z)-N-[(6R,7R)-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]-2-(2-imino-3H-1,3-thiazol-4-yl)-2-(methoxyimino)ethanecarboximidate
SMILES[Na+].[H][C@]12SCC=C(N1C(=O)[C@@]2([H])N=C([O-])C(=N/OC)\C1=CSC(=N)N1)C(O)=O
InChI IdentifierInChI=1S/C13H13N5O5S2.Na/c1-23-17-7(5-4-25-13(14)15-5)9(19)16-8-10(20)18-6(12(21)22)2-3-24-11(8)18;/h2,4,8,11H,3H2,1H3,(H2,14,15)(H,16,19)(H,21,22);/q;+1/p-1/b17-7-;/t8-,11-;/m1./s1
InChI KeyADLFUPFRVXCDMO-LIGXYSTNSA-M
Chemical Taxonomy
Description belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. N-acyl-alpha amino acids and derivatives are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentN-acyl-alpha amino acids and derivatives
Alternative Parents
Substituents
  • N-acyl-alpha amino acid or derivatives
  • Cephem
  • Meta-thiazine
  • Azole
  • Beta-lactam
  • Heteroaromatic compound
  • Tertiary carboxylic acid amide
  • Thiazole
  • Azetidine
  • Carboxamide group
  • Isothiourea
  • Lactam
  • Carboximidic acid
  • Carboximidic acid derivative
  • Carboxylic acid
  • Azacycle
  • Organic alkali metal salt
  • Monocarboxylic acid or derivatives
  • Organoheterocyclic compound
  • Dialkylthioether
  • Thioether
  • Hemithioaminal
  • Propargyl-type 1,3-dipolar organic compound
  • Organic 1,3-dipolar compound
  • Organic sodium salt
  • Carbonyl group
  • Organic nitrogen compound
  • Organonitrogen compound
  • Organooxygen compound
  • Organic salt
  • Hydrocarbon derivative
  • Organic oxygen compound
  • Organic zwitterion
  • Organopnictogen compound
  • Organic oxide
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External Descriptors
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
PathwaysNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
Water Solubility0.3 g/LALOGPS
logP1.02ALOGPS
logP0.7ChemAxon
logS-3.1ALOGPS
pKa (Strongest Acidic)3.29ChemAxon
pKa (Strongest Basic)0.72ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count9ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area150.5 ŲChemAxon
Rotatable Bond Count5ChemAxon
Refractivity113.76 m³·mol⁻¹ChemAxon
Polarizability35.59 ųChemAxon
Number of Rings3ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-029f-1947100000-5e6d87fd73d9e2ffa593Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0a4m-1921000000-793c1d22820d0965bf9bSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0kam-4910000000-98fa2b3b0b69ba431f2eSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-000i-0090000000-b15e46ef3e0eceea3402Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0a4r-2596000000-d22d4c99998b1a1d6168Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-052f-9210000000-0fc5ad718873cc3d9ac1Spectrum
Toxicity Profile
Route of ExposureNot Available
Mechanism of ToxicityNot Available
MetabolismNot Available
Toxicity ValuesNot Available
Lethal DoseNot Available
Carcinogenicity (IARC Classification)Not Available
Uses/SourcesNot Available
Minimum Risk LevelNot Available
Health EffectsNot Available
SymptomsNot Available
TreatmentNot Available
Concentrations
Not Available
DrugBank IDDBSALT001162
HMDB IDNot Available
FooDB IDNot Available
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkCeftizoxime
Chemspider IDNot Available
ChEBI ID3512
PubChem Compound ID9690094
Kegg Compound IDC08118
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available