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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-06 15:16:51 UTC
Update Date2021-09-14 15:16:00 UTC
HMDB IDHMDB0015199
Secondary Accession Numbers
  • HMDB15199
Metabolite Identification
Common NameCefditoren
DescriptionCefditoren is only found in individuals that have used or taken this drug. It is a third-generation cephalosporin antibiotic for oral use. It is commonly marketed under the trade name Spectracef by Cornerstone BioPharma.The bactericidal activity of cefditoren results from the inhibition of cell wall synthesis via affinity for penicillin-binding proteins (PBPs). Cefditoren is stable in the presence of a variety of b-lactamases, including penicillinases and some cephalosporinases.
Structure
Data?1582753269
Synonyms
ValueSource
(6R,7R)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-[(Z)-2-(4-methyl-1,3-thiazol-5-yl)ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acidChEBI
(6R,7R)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-[(Z)-2-(4-methyl-1,3-thiazol-5-yl)ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylateGenerator
CDTR-PIHMDB
Cefditoren pivaloyloxymethyl esterHMDB
Cefditoren pivoxilHMDB
Cefditoren, sodium salt, (6R-(3(Z),6alpha,7beta(Z)))-isomerHMDB
Chemical FormulaC19H18N6O5S3
Average Molecular Weight506.578
Monoisotopic Molecular Weight506.050079786
IUPAC Name(6R,7R)-7-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido]-3-[(Z)-2-(4-methyl-1,3-thiazol-5-yl)ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Traditional Namecefditoren
CAS Registry Number117467-28-4
SMILES
[H][C@]12SCC(\C=C/C3=C(C)N=CS3)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C1=CSC(N)=N1)C(O)=O
InChI Identifier
InChI=1S/C19H18N6O5S3/c1-8-11(33-7-21-8)4-3-9-5-31-17-13(16(27)25(17)14(9)18(28)29)23-15(26)12(24-30-2)10-6-32-19(20)22-10/h3-4,6-7,13,17H,5H2,1-2H3,(H2,20,22)(H,23,26)(H,28,29)/b4-3-,24-12-/t13-,17-/m1/s1
InChI KeyKMIPKYQIOVAHOP-YLGJWRNMSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as cephalosporins. Cephalosporins 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.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassLactams
Sub ClassBeta lactams
Direct ParentCephalosporins
Alternative Parents
Substituents
  • Cephalosporin
  • N-acyl-alpha amino acid or derivatives
  • Alpha-amino acid or derivatives
  • 2,4-disubstituted 1,3-thiazole
  • 4,5-disubstituted 1,3-thiazole
  • Meta-thiazine
  • 1,3-thiazol-2-amine
  • Azole
  • Tertiary carboxylic acid amide
  • Thiazole
  • Heteroaromatic compound
  • Amino acid or derivatives
  • Azetidine
  • Carboxamide group
  • Secondary carboxylic acid amide
  • Amino acid
  • Azacycle
  • Dialkylthioether
  • Hemithioaminal
  • Thioether
  • Carboxylic acid derivative
  • Carboxylic acid
  • Monocarboxylic acid or derivatives
  • Organic oxygen compound
  • Carbonyl group
  • Organic nitrogen compound
  • Organopnictogen compound
  • Amine
  • Organic oxide
  • Primary amine
  • Hydrocarbon derivative
  • Organonitrogen compound
  • Organooxygen compound
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External Descriptors
Ontology
Disposition

Biological location

Source

Route of exposure

Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point127 - 129 °CNot Available
Boiling PointNot AvailableNot Available
Water Solubility0.044 g/LNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.044 g/LALOGPS
logP10(1.7) g/LALOGPS
logP10(-0.15) g/LChemAxon
logS10(-4.1) g/LALOGPS
pKa (Strongest Acidic)3.4ChemAxon
pKa (Strongest Basic)4.22ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count9ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area160.1 ŲChemAxon
Rotatable Bond Count7ChemAxon
Refractivity124.18 m³·mol⁻¹ChemAxon
Polarizability49.19 ųChemAxon
Number of Rings4ChemAxon
BioavailabilityYesChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted Chromatographic Properties

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Cefditoren[H][C@]12SCC(\C=C/C3=C(C)N=CS3)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C1=CSC(N)=N1)C(O)=O5735.3Standard polar33892256
Cefditoren[H][C@]12SCC(\C=C/C3=C(C)N=CS3)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C1=CSC(N)=N1)C(O)=O3947.0Standard non polar33892256
Cefditoren[H][C@]12SCC(\C=C/C3=C(C)N=CS3)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C1=CSC(N)=N1)C(O)=O4765.6Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Cefditoren,1TMS,isomer #1CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(/C=C\C3=C(C)N=CS3)CS[C@H]12)C1=CSC(N)=N14461.8Semi standard non polar33892256
Cefditoren,1TMS,isomer #2CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(/C=C\C3=C(C)N=CS3)CS[C@H]12)C1=CSC(N[Si](C)(C)C)=N14582.6Semi standard non polar33892256
Cefditoren,1TMS,isomer #3CO/N=C(\C(=O)N([C@@H]1C(=O)N2C(C(=O)O)=C(/C=C\C3=C(C)N=CS3)CS[C@H]12)[Si](C)(C)C)C1=CSC(N)=N14371.7Semi standard non polar33892256
Cefditoren,2TMS,isomer #1CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(/C=C\C3=C(C)N=CS3)CS[C@H]12)C1=CSC(N[Si](C)(C)C)=N14473.5Semi standard non polar33892256
Cefditoren,2TMS,isomer #1CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(/C=C\C3=C(C)N=CS3)CS[C@H]12)C1=CSC(N[Si](C)(C)C)=N13644.5Standard non polar33892256
Cefditoren,2TMS,isomer #1CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(/C=C\C3=C(C)N=CS3)CS[C@H]12)C1=CSC(N[Si](C)(C)C)=N17347.0Standard polar33892256
Cefditoren,2TMS,isomer #2CO/N=C(\C(=O)N([C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(/C=C\C3=C(C)N=CS3)CS[C@H]12)[Si](C)(C)C)C1=CSC(N)=N14290.6Semi standard non polar33892256
Cefditoren,2TMS,isomer #2CO/N=C(\C(=O)N([C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(/C=C\C3=C(C)N=CS3)CS[C@H]12)[Si](C)(C)C)C1=CSC(N)=N13689.8Standard non polar33892256
Cefditoren,2TMS,isomer #2CO/N=C(\C(=O)N([C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(/C=C\C3=C(C)N=CS3)CS[C@H]12)[Si](C)(C)C)C1=CSC(N)=N17001.6Standard polar33892256
Cefditoren,2TMS,isomer #3CO/N=C(\C(=O)N([C@@H]1C(=O)N2C(C(=O)O)=C(/C=C\C3=C(C)N=CS3)CS[C@H]12)[Si](C)(C)C)C1=CSC(N[Si](C)(C)C)=N14354.8Semi standard non polar33892256
Cefditoren,2TMS,isomer #3CO/N=C(\C(=O)N([C@@H]1C(=O)N2C(C(=O)O)=C(/C=C\C3=C(C)N=CS3)CS[C@H]12)[Si](C)(C)C)C1=CSC(N[Si](C)(C)C)=N13705.4Standard non polar33892256
Cefditoren,2TMS,isomer #3CO/N=C(\C(=O)N([C@@H]1C(=O)N2C(C(=O)O)=C(/C=C\C3=C(C)N=CS3)CS[C@H]12)[Si](C)(C)C)C1=CSC(N[Si](C)(C)C)=N16983.2Standard polar33892256
Cefditoren,2TMS,isomer #4CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(/C=C\C3=C(C)N=CS3)CS[C@H]12)C1=CSC(N([Si](C)(C)C)[Si](C)(C)C)=N14415.9Semi standard non polar33892256
Cefditoren,2TMS,isomer #4CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(/C=C\C3=C(C)N=CS3)CS[C@H]12)C1=CSC(N([Si](C)(C)C)[Si](C)(C)C)=N13791.0Standard non polar33892256
Cefditoren,2TMS,isomer #4CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(/C=C\C3=C(C)N=CS3)CS[C@H]12)C1=CSC(N([Si](C)(C)C)[Si](C)(C)C)=N17213.9Standard polar33892256
Cefditoren,3TMS,isomer #1CO/N=C(\C(=O)N([C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(/C=C\C3=C(C)N=CS3)CS[C@H]12)[Si](C)(C)C)C1=CSC(N[Si](C)(C)C)=N14299.6Semi standard non polar33892256
Cefditoren,3TMS,isomer #1CO/N=C(\C(=O)N([C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(/C=C\C3=C(C)N=CS3)CS[C@H]12)[Si](C)(C)C)C1=CSC(N[Si](C)(C)C)=N13696.5Standard non polar33892256
Cefditoren,3TMS,isomer #1CO/N=C(\C(=O)N([C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(/C=C\C3=C(C)N=CS3)CS[C@H]12)[Si](C)(C)C)C1=CSC(N[Si](C)(C)C)=N16606.5Standard polar33892256
Cefditoren,3TMS,isomer #2CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(/C=C\C3=C(C)N=CS3)CS[C@H]12)C1=CSC(N([Si](C)(C)C)[Si](C)(C)C)=N14372.1Semi standard non polar33892256
Cefditoren,3TMS,isomer #2CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(/C=C\C3=C(C)N=CS3)CS[C@H]12)C1=CSC(N([Si](C)(C)C)[Si](C)(C)C)=N13744.0Standard non polar33892256
Cefditoren,3TMS,isomer #2CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(/C=C\C3=C(C)N=CS3)CS[C@H]12)C1=CSC(N([Si](C)(C)C)[Si](C)(C)C)=N16898.3Standard polar33892256
Cefditoren,3TMS,isomer #3CO/N=C(\C(=O)N([C@@H]1C(=O)N2C(C(=O)O)=C(/C=C\C3=C(C)N=CS3)CS[C@H]12)[Si](C)(C)C)C1=CSC(N([Si](C)(C)C)[Si](C)(C)C)=N14252.6Semi standard non polar33892256
Cefditoren,3TMS,isomer #3CO/N=C(\C(=O)N([C@@H]1C(=O)N2C(C(=O)O)=C(/C=C\C3=C(C)N=CS3)CS[C@H]12)[Si](C)(C)C)C1=CSC(N([Si](C)(C)C)[Si](C)(C)C)=N13803.4Standard non polar33892256
Cefditoren,3TMS,isomer #3CO/N=C(\C(=O)N([C@@H]1C(=O)N2C(C(=O)O)=C(/C=C\C3=C(C)N=CS3)CS[C@H]12)[Si](C)(C)C)C1=CSC(N([Si](C)(C)C)[Si](C)(C)C)=N16487.7Standard polar33892256
Cefditoren,4TMS,isomer #1CO/N=C(\C(=O)N([C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(/C=C\C3=C(C)N=CS3)CS[C@H]12)[Si](C)(C)C)C1=CSC(N([Si](C)(C)C)[Si](C)(C)C)=N14252.7Semi standard non polar33892256
Cefditoren,4TMS,isomer #1CO/N=C(\C(=O)N([C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(/C=C\C3=C(C)N=CS3)CS[C@H]12)[Si](C)(C)C)C1=CSC(N([Si](C)(C)C)[Si](C)(C)C)=N13787.7Standard non polar33892256
Cefditoren,4TMS,isomer #1CO/N=C(\C(=O)N([C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(/C=C\C3=C(C)N=CS3)CS[C@H]12)[Si](C)(C)C)C1=CSC(N([Si](C)(C)C)[Si](C)(C)C)=N16177.3Standard polar33892256
Cefditoren,1TBDMS,isomer #1CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C(C)(C)C)=C(/C=C\C3=C(C)N=CS3)CS[C@H]12)C1=CSC(N)=N14667.2Semi standard non polar33892256
Cefditoren,1TBDMS,isomer #2CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(/C=C\C3=C(C)N=CS3)CS[C@H]12)C1=CSC(N[Si](C)(C)C(C)(C)C)=N14721.2Semi standard non polar33892256
Cefditoren,1TBDMS,isomer #3CO/N=C(\C(=O)N([C@@H]1C(=O)N2C(C(=O)O)=C(/C=C\C3=C(C)N=CS3)CS[C@H]12)[Si](C)(C)C(C)(C)C)C1=CSC(N)=N14550.1Semi standard non polar33892256
Cefditoren,2TBDMS,isomer #1CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C(C)(C)C)=C(/C=C\C3=C(C)N=CS3)CS[C@H]12)C1=CSC(N[Si](C)(C)C(C)(C)C)=N14817.8Semi standard non polar33892256
Cefditoren,2TBDMS,isomer #1CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C(C)(C)C)=C(/C=C\C3=C(C)N=CS3)CS[C@H]12)C1=CSC(N[Si](C)(C)C(C)(C)C)=N14043.9Standard non polar33892256
Cefditoren,2TBDMS,isomer #1CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C(C)(C)C)=C(/C=C\C3=C(C)N=CS3)CS[C@H]12)C1=CSC(N[Si](C)(C)C(C)(C)C)=N17110.5Standard polar33892256
Cefditoren,2TBDMS,isomer #2CO/N=C(\C(=O)N([C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C(C)(C)C)=C(/C=C\C3=C(C)N=CS3)CS[C@H]12)[Si](C)(C)C(C)(C)C)C1=CSC(N)=N14630.9Semi standard non polar33892256
Cefditoren,2TBDMS,isomer #2CO/N=C(\C(=O)N([C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C(C)(C)C)=C(/C=C\C3=C(C)N=CS3)CS[C@H]12)[Si](C)(C)C(C)(C)C)C1=CSC(N)=N14052.7Standard non polar33892256
Cefditoren,2TBDMS,isomer #2CO/N=C(\C(=O)N([C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C(C)(C)C)=C(/C=C\C3=C(C)N=CS3)CS[C@H]12)[Si](C)(C)C(C)(C)C)C1=CSC(N)=N16860.3Standard polar33892256
Cefditoren,2TBDMS,isomer #3CO/N=C(\C(=O)N([C@@H]1C(=O)N2C(C(=O)O)=C(/C=C\C3=C(C)N=CS3)CS[C@H]12)[Si](C)(C)C(C)(C)C)C1=CSC(N[Si](C)(C)C(C)(C)C)=N14674.3Semi standard non polar33892256
Cefditoren,2TBDMS,isomer #3CO/N=C(\C(=O)N([C@@H]1C(=O)N2C(C(=O)O)=C(/C=C\C3=C(C)N=CS3)CS[C@H]12)[Si](C)(C)C(C)(C)C)C1=CSC(N[Si](C)(C)C(C)(C)C)=N14103.4Standard non polar33892256
Cefditoren,2TBDMS,isomer #3CO/N=C(\C(=O)N([C@@H]1C(=O)N2C(C(=O)O)=C(/C=C\C3=C(C)N=CS3)CS[C@H]12)[Si](C)(C)C(C)(C)C)C1=CSC(N[Si](C)(C)C(C)(C)C)=N16730.7Standard polar33892256
Cefditoren,2TBDMS,isomer #4CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(/C=C\C3=C(C)N=CS3)CS[C@H]12)C1=CSC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N14760.5Semi standard non polar33892256
Cefditoren,2TBDMS,isomer #4CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(/C=C\C3=C(C)N=CS3)CS[C@H]12)C1=CSC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N14170.6Standard non polar33892256
Cefditoren,2TBDMS,isomer #4CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(/C=C\C3=C(C)N=CS3)CS[C@H]12)C1=CSC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N16980.3Standard polar33892256
Cefditoren,3TBDMS,isomer #1CO/N=C(\C(=O)N([C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C(C)(C)C)=C(/C=C\C3=C(C)N=CS3)CS[C@H]12)[Si](C)(C)C(C)(C)C)C1=CSC(N[Si](C)(C)C(C)(C)C)=N14771.8Semi standard non polar33892256
Cefditoren,3TBDMS,isomer #1CO/N=C(\C(=O)N([C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C(C)(C)C)=C(/C=C\C3=C(C)N=CS3)CS[C@H]12)[Si](C)(C)C(C)(C)C)C1=CSC(N[Si](C)(C)C(C)(C)C)=N14238.6Standard non polar33892256
Cefditoren,3TBDMS,isomer #1CO/N=C(\C(=O)N([C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C(C)(C)C)=C(/C=C\C3=C(C)N=CS3)CS[C@H]12)[Si](C)(C)C(C)(C)C)C1=CSC(N[Si](C)(C)C(C)(C)C)=N16439.1Standard polar33892256
Cefditoren,3TBDMS,isomer #2CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C(C)(C)C)=C(/C=C\C3=C(C)N=CS3)CS[C@H]12)C1=CSC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N14872.7Semi standard non polar33892256
Cefditoren,3TBDMS,isomer #2CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C(C)(C)C)=C(/C=C\C3=C(C)N=CS3)CS[C@H]12)C1=CSC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N14300.6Standard non polar33892256
Cefditoren,3TBDMS,isomer #2CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C(C)(C)C)=C(/C=C\C3=C(C)N=CS3)CS[C@H]12)C1=CSC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N16687.7Standard polar33892256
Cefditoren,3TBDMS,isomer #3CO/N=C(\C(=O)N([C@@H]1C(=O)N2C(C(=O)O)=C(/C=C\C3=C(C)N=CS3)CS[C@H]12)[Si](C)(C)C(C)(C)C)C1=CSC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N14749.6Semi standard non polar33892256
Cefditoren,3TBDMS,isomer #3CO/N=C(\C(=O)N([C@@H]1C(=O)N2C(C(=O)O)=C(/C=C\C3=C(C)N=CS3)CS[C@H]12)[Si](C)(C)C(C)(C)C)C1=CSC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N14357.9Standard non polar33892256
Cefditoren,3TBDMS,isomer #3CO/N=C(\C(=O)N([C@@H]1C(=O)N2C(C(=O)O)=C(/C=C\C3=C(C)N=CS3)CS[C@H]12)[Si](C)(C)C(C)(C)C)C1=CSC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N16258.9Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Cefditoren GC-MS (Non-derivatized) - 70eV, Positivesplash10-0a4i-1922400000-31a65143e1c5453ed7082017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cefditoren GC-MS (1 TMS) - 70eV, Positivesplash10-0h2b-3798060000-43fec12d48683e5063fc2017-10-06Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cefditoren 10V, Positive-QTOFsplash10-06dl-1091220000-78a47e0916564ff197d22017-07-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cefditoren 20V, Positive-QTOFsplash10-0601-4192100000-9f754807093748d047442017-07-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cefditoren 40V, Positive-QTOFsplash10-052b-9241000000-d668da1dbd959f91bbee2017-07-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cefditoren 10V, Negative-QTOFsplash10-000i-0190110000-2bf4d4048d735c9d62dc2017-07-26Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cefditoren 20V, Negative-QTOFsplash10-0a4r-1890400000-339d7fe7c4c3abccaeb72017-07-26Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cefditoren 40V, Negative-QTOFsplash10-052f-9310000000-b3eaac0c9234734808df2017-07-26Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cefditoren 10V, Positive-QTOFsplash10-0a4i-0000290000-f8bfbef7ef5bec2928f72021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cefditoren 20V, Positive-QTOFsplash10-0a4i-0383950000-4c18f6fc364f9d4b75b52021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cefditoren 40V, Positive-QTOFsplash10-005a-1841900000-13f714356c4941f13b222021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cefditoren 10V, Negative-QTOFsplash10-0a4r-0060960000-29234e739d82f583cb2b2021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cefditoren 20V, Negative-QTOFsplash10-044j-2590810000-a537321a63d30c0b82f32021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cefditoren 40V, Negative-QTOFsplash10-0abd-9810200000-061e4c3e7f51c5231af62021-10-11Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
  • Membrane
Biospecimen Locations
  • Blood
  • Urine
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableTaking drug identified by DrugBank entry DB01066 details
UrineExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableTaking drug identified by DrugBank entry DB01066 details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDDB01066
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID8046534
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkCefditoren
METLIN IDNot Available
PubChem Compound9870843
PDB IDNot Available
ChEBI ID59343
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Tempera G, Furneri PM, Carlone NA, Cocuzza C, Rigoli R, Musumeci R, Pilloni AP, Prenna M, Tufano MA, Tullio V, Vitali LA, Nicoletti G: Antibiotic susceptibility of respiratory pathogens recently isolated in Italy: focus on cefditoren. J Chemother. 2010 Jun;22(3):153-9. [PubMed:20566418 ]