Cefepime chloride hydrochloride hydrate (CHEM018433)

IdentificationTaxonomyBiological PropertiesPhysical PropertiesToxicity ProfileSpectraConcentrationsLinksReferencesXML
Record Information
Version1.0
Creation Date2016-05-22 05:15:11 UTC
Update Date2016-11-09 01:15:48 UTC
Accession NumberCHEM018433
Identification
Common NameCefepime chloride hydrochloride hydrate
ClassSmall Molecule
DescriptionA hydrochloride that is the monohydrate of the dihydrochloride salt of cefepime.
Contaminant Sources
  • ToxCast & Tox21 Chemicals
Contaminant TypeNot Available
Chemical Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
1-(((6R,7R)-7-(2-(2-Amino-4-thiazolyl)glyoxylamido)-2-carboxy-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-3- yl)methyl)-1-methylpyrrolidinium chloride, 7(2)-(Z)-(O-methyloxime) monohydrochloride monohydrateChEBI
Cefepime dihydrochlorideChEBI
Cefepime dihydrochloride monohydrateChEBI
Cefepime HCLChEBI
Cefepime hydrochloride hydrateChEBI
Cefepime dihydrochloride hydrateKegg
CFPMKegg
MaxipimeKegg
1-(((6R,7R)-7-(2-(2-Amino-4-thiazolyl)glyoxylamido)-2-carboxy-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-3- yl)methyl)-1-methylpyrrolidinium chloride, 7(2)-(Z)-(O-methyloxime) monohydrochloride monohydric acidGenerator
Cefepime dihydrochloride monohydric acidGenerator
Cefepime hydrochloride hydric acidGenerator
Cefepime dihydrochloride hydric acidGenerator
AxépimMeSH
QuadrocefMeSH
CefepimMeSH
CefepimeMeSH
Bristol-myers brand OF cefepime dihydrochlorideMeSH
Elan brand OF cefepime dihydrochlorideMeSH
Bristol-myers squibb brand OF cefepime dihydrochlorideMeSH
Chemical FormulaC19H28Cl2N6O6S2
Average Molecular Mass571.490 g/mol
Monoisotopic Mass570.089 g/mol
CAS Registry Number123171-59-5
IUPAC Name1-{[(6R,7R)-2-carboxylato-7-{[(2Z)-1-hydroxy-2-(2-imino-2,3-dihydro-1,3-thiazol-4-yl)-2-(methoxyimino)ethylidene]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl}-1-methylpyrrolidin-1-ium hydrate dihydrochloride
Traditional Namecefepim hydrate dihydrochloride
SMILESO.Cl.Cl.[H][C@]12SCC(C[N+]3(C)CCCC3)=C(N1C(=O)[C@@]2([H])N=C(O)C(=N/OC)\C1=CSC(=N)N1)C([O-])=O
InChI IdentifierInChI=1S/C19H24N6O5S2.2ClH.H2O/c1-25(5-3-4-6-25)7-10-8-31-17-13(16(27)24(17)14(10)18(28)29)22-15(26)12(23-30-2)11-9-32-19(20)21-11;;;/h9,13,17H,3-8H2,1-2H3,(H3-,20,21,22,26,28,29);2*1H;1H2/b23-12-;;;/t13-,17-;;;/m1.../s1
InChI KeyLRAJHPGSGBRUJN-OMIVUECESA-N
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
  • N-alkylpyrrolidine
  • Azole
  • Beta-lactam
  • Tetraalkylammonium salt
  • Heteroaromatic compound
  • Pyrrolidine
  • Quaternary ammonium salt
  • Tertiary carboxylic acid amide
  • Thiazole
  • Azetidine
  • Carboxamide group
  • Carboxylic acid salt
  • Isothiourea
  • Lactam
  • Thioether
  • Organic 1,3-dipolar compound
  • Organoheterocyclic compound
  • Propargyl-type 1,3-dipolar organic compound
  • Azacycle
  • Dialkylthioether
  • Hemithioaminal
  • Carboximidic acid
  • Monocarboxylic acid or derivatives
  • Carboximidic acid derivative
  • Carboxylic acid
  • Organic salt
  • Organic oxide
  • Organic nitrogen compound
  • Amine
  • Organic oxygen compound
  • Hydrocarbon derivative
  • Carbonyl group
  • Organopnictogen compound
  • Organonitrogen compound
  • Organooxygen compound
  • Organic zwitterion
  • Hydrochloride
  • 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 Solubility0.11 g/LALOGPS
logP-0.21ALOGPS
logP-3.4ChemAxon
logS-3.7ALOGPS
pKa (Strongest Acidic)3.29ChemAxon
pKa (Strongest Basic)0.72ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count9ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area150.5 ŲChemAxon
Rotatable Bond Count7ChemAxon
Refractivity155.29 m³·mol⁻¹ChemAxon
Polarizability47.34 ųChemAxon
Number of Rings4ChemAxon
Bioavailability1ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Spectra
SpectraNot Available
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 IDDBSALT000920
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 LinkCefepime
Chemspider IDNot Available
ChEBI ID31368
PubChem Compound ID9571075
Kegg Compound IDC12557
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available