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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-06 15:16:52 UTC
Update Date2022-03-07 02:52:01 UTC
HMDB IDHMDB0015536
Secondary Accession Numbers
  • HMDB15536
Metabolite Identification
Common NameImipenem
DescriptionSemisynthetic thienamycin that has a wide spectrum of antibacterial activity against gram-negative and gram-positive aerobic and anaerobic bacteria, including many multiresistant strains. It is stable to beta-lactamases. Clinical studies have demonstrated high efficacy in the treatment of infections of various body systems. Its effectiveness is enhanced when it is administered in combination with cilastatin, a renal dipeptidase inhibitor. [PubChem]
Structure
Data?1582753307
Synonyms
ValueSource
(5R,6S)-3-((2-(Formimidoylamino)ethyl)thio)-6-((R)-1-hydroxyethyl)-7-oxo-1-azabicyclo(3.2.0)hept-2-ene-2-carboxylic acidChEBI
(5R,6S)-3-(2-Formimidoylamino-ethylsulfanyl)-6-((R)-1-hydroxy-ethyl)-7-oxo-1-aza-bicyclo[3.2.0]hept-2-ene-2-carboxylic acidChEBI
(5R,6S)-6-((R)-1-Hydroxyethyl)-3-(2-(iminomethylamino)ethylthio)-7-oxo-1-azabicyclo(3.2.0)hept-2-ene-2-carbonsaeureChEBI
Imipenem anhydrousChEBI
ImipenemumChEBI
N-Formimidoyl thienamycinChEBI
N-FormimidoylthienamycinChEBI
(5R,6S)-3-((2-(Formimidoylamino)ethyl)thio)-6-((R)-1-hydroxyethyl)-7-oxo-1-azabicyclo(3.2.0)hept-2-ene-2-carboxylateGenerator
(5R,6S)-3-(2-Formimidoylamino-ethylsulfanyl)-6-((R)-1-hydroxy-ethyl)-7-oxo-1-aza-bicyclo[3.2.0]hept-2-ene-2-carboxylateGenerator
(5R,6S)-3-(2-Formimidoylamino-ethylsulphanyl)-6-((R)-1-hydroxy-ethyl)-7-oxo-1-aza-bicyclo[3.2.0]hept-2-ene-2-carboxylateGenerator
(5R,6S)-3-(2-Formimidoylamino-ethylsulphanyl)-6-((R)-1-hydroxy-ethyl)-7-oxo-1-aza-bicyclo[3.2.0]hept-2-ene-2-carboxylic acidGenerator
IPMHMDB
ImipemideHMDB
Imipenem, N-formimidoyl thienamycinHMDB
IMPHMDB
Imipenem, anhydrousHMDB
N FormimidoylthienamycinHMDB
Anhydrous imipenemHMDB
Anhydrous, imipenemHMDB
Chemical FormulaC12H17N3O4S
Average Molecular Weight299.346
Monoisotopic Molecular Weight299.093976737
IUPAC Name(5R,6S)-3-({2-[(E)-(aminomethylidene)amino]ethyl}sulfanyl)-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
Traditional Namezienam
CAS Registry Number74431-23-5
SMILES
[H][C@]12CC(SCC\N=C\N)=C(N1C(=O)[C@]2([H])[C@@H](C)O)C(O)=O
InChI Identifier
InChI=1S/C12H17N3O4S/c1-6(16)9-7-4-8(20-3-2-14-5-13)10(12(18)19)15(7)11(9)17/h5-7,9,16H,2-4H2,1H3,(H2,13,14)(H,18,19)/t6-,7-,9-/m1/s1
InChI KeyZSKVGTPCRGIANV-ZXFLCMHBSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as thienamycins. These are beta-lactam antibiotics that differ from penicillins in having the thiazolidine sulfur atom replaced by carbon, the sulfur then becoming the first atom in the side chain.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassLactams
Sub ClassBeta lactams
Direct ParentThienamycins
Alternative Parents
Substituents
  • Thienamycin
  • Alpha-amino acid or derivatives
  • Pyrroline carboxylic acid
  • Pyrroline carboxylic acid or derivatives
  • Azepine
  • Vinylogous thioester
  • Pyrroline
  • Tertiary carboxylic acid amide
  • Azetidine
  • Carboxamide group
  • Secondary alcohol
  • Thioenolether
  • Sulfenyl compound
  • Carboximidamide
  • Azacycle
  • Amidine
  • Formamidine
  • Carboxylic acid amidine
  • Carboxylic acid derivative
  • Carboxylic acid
  • Monocarboxylic acid or derivatives
  • Hydrocarbon derivative
  • Imine
  • Organonitrogen compound
  • Organooxygen compound
  • Organosulfur compound
  • Carbonyl group
  • Alcohol
  • Organic oxygen compound
  • Organopnictogen compound
  • Organic oxide
  • Organic nitrogen compound
  • Aliphatic heteropolycyclic compound
Molecular FrameworkAliphatic heteropolycyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
RoleNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water Solubility0.78 g/LNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.78 g/LALOGPS
logP-0.19ALOGPS
logP-3.9ChemAxon
logS-2.6ALOGPS
pKa (Strongest Acidic)3.63ChemAxon
pKa (Strongest Basic)10.88ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area116.22 ŲChemAxon
Rotatable Bond Count6ChemAxon
Refractivity75.84 m³·mol⁻¹ChemAxon
Polarizability31.1 ųChemAxon
Number of Rings2ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+167.5331661259
DarkChem[M-H]-162.98831661259
DeepCCS[M-2H]-206.56330932474
DeepCCS[M+Na]+182.63530932474
AllCCS[M+H]+165.532859911
AllCCS[M+H-H2O]+162.432859911
AllCCS[M+NH4]+168.332859911
AllCCS[M+Na]+169.232859911
AllCCS[M-H]-169.032859911
AllCCS[M+Na-2H]-169.032859911
AllCCS[M+HCOO]-169.232859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Imipenem[H][C@]12CC(SCC\N=C\N)=C(N1C(=O)[C@]2([H])[C@@H](C)O)C(O)=O3901.9Standard polar33892256
Imipenem[H][C@]12CC(SCC\N=C\N)=C(N1C(=O)[C@]2([H])[C@@H](C)O)C(O)=O2781.9Standard non polar33892256
Imipenem[H][C@]12CC(SCC\N=C\N)=C(N1C(=O)[C@]2([H])[C@@H](C)O)C(O)=O2866.0Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Imipenem,1TMS,isomer #1C[C@@H](O[Si](C)(C)C)[C@H]1C(=O)N2C(C(=O)O)=C(SCC/N=C/N)C[C@H]122580.7Semi standard non polar33892256
Imipenem,1TMS,isomer #2C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(SCC/N=C/N)C[C@H]122550.8Semi standard non polar33892256
Imipenem,1TMS,isomer #3C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SCC/N=C/N[Si](C)(C)C)C[C@H]122706.6Semi standard non polar33892256
Imipenem,2TMS,isomer #1C[C@@H](O[Si](C)(C)C)[C@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(SCC/N=C/N)C[C@H]122511.3Semi standard non polar33892256
Imipenem,2TMS,isomer #2C[C@@H](O[Si](C)(C)C)[C@H]1C(=O)N2C(C(=O)O)=C(SCC/N=C/N[Si](C)(C)C)C[C@H]122675.9Semi standard non polar33892256
Imipenem,2TMS,isomer #3C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(SCC/N=C/N[Si](C)(C)C)C[C@H]122660.9Semi standard non polar33892256
Imipenem,2TMS,isomer #4C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SCC/N=C/N([Si](C)(C)C)[Si](C)(C)C)C[C@H]122739.9Semi standard non polar33892256
Imipenem,3TMS,isomer #1C[C@@H](O[Si](C)(C)C)[C@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(SCC/N=C/N[Si](C)(C)C)C[C@H]122636.0Semi standard non polar33892256
Imipenem,3TMS,isomer #1C[C@@H](O[Si](C)(C)C)[C@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(SCC/N=C/N[Si](C)(C)C)C[C@H]122785.3Standard non polar33892256
Imipenem,3TMS,isomer #1C[C@@H](O[Si](C)(C)C)[C@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(SCC/N=C/N[Si](C)(C)C)C[C@H]123969.7Standard polar33892256
Imipenem,3TMS,isomer #2C[C@@H](O[Si](C)(C)C)[C@H]1C(=O)N2C(C(=O)O)=C(SCC/N=C/N([Si](C)(C)C)[Si](C)(C)C)C[C@H]122693.3Semi standard non polar33892256
Imipenem,3TMS,isomer #2C[C@@H](O[Si](C)(C)C)[C@H]1C(=O)N2C(C(=O)O)=C(SCC/N=C/N([Si](C)(C)C)[Si](C)(C)C)C[C@H]122862.4Standard non polar33892256
Imipenem,3TMS,isomer #2C[C@@H](O[Si](C)(C)C)[C@H]1C(=O)N2C(C(=O)O)=C(SCC/N=C/N([Si](C)(C)C)[Si](C)(C)C)C[C@H]123793.0Standard polar33892256
Imipenem,3TMS,isomer #3C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(SCC/N=C/N([Si](C)(C)C)[Si](C)(C)C)C[C@H]122690.1Semi standard non polar33892256
Imipenem,3TMS,isomer #3C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(SCC/N=C/N([Si](C)(C)C)[Si](C)(C)C)C[C@H]122898.1Standard non polar33892256
Imipenem,3TMS,isomer #3C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(SCC/N=C/N([Si](C)(C)C)[Si](C)(C)C)C[C@H]123894.8Standard polar33892256
Imipenem,4TMS,isomer #1C[C@@H](O[Si](C)(C)C)[C@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(SCC/N=C/N([Si](C)(C)C)[Si](C)(C)C)C[C@H]122699.6Semi standard non polar33892256
Imipenem,4TMS,isomer #1C[C@@H](O[Si](C)(C)C)[C@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(SCC/N=C/N([Si](C)(C)C)[Si](C)(C)C)C[C@H]122923.1Standard non polar33892256
Imipenem,4TMS,isomer #1C[C@@H](O[Si](C)(C)C)[C@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(SCC/N=C/N([Si](C)(C)C)[Si](C)(C)C)C[C@H]123539.8Standard polar33892256
Imipenem,1TBDMS,isomer #1C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N2C(C(=O)O)=C(SCC/N=C/N)C[C@H]122757.8Semi standard non polar33892256
Imipenem,1TBDMS,isomer #2C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O[Si](C)(C)C(C)(C)C)=C(SCC/N=C/N)C[C@H]122736.0Semi standard non polar33892256
Imipenem,1TBDMS,isomer #3C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SCC/N=C/N[Si](C)(C)C(C)(C)C)C[C@H]122875.1Semi standard non polar33892256
Imipenem,2TBDMS,isomer #1C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N2C(C(=O)O[Si](C)(C)C(C)(C)C)=C(SCC/N=C/N)C[C@H]122882.9Semi standard non polar33892256
Imipenem,2TBDMS,isomer #2C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N2C(C(=O)O)=C(SCC/N=C/N[Si](C)(C)C(C)(C)C)C[C@H]123018.8Semi standard non polar33892256
Imipenem,2TBDMS,isomer #3C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O[Si](C)(C)C(C)(C)C)=C(SCC/N=C/N[Si](C)(C)C(C)(C)C)C[C@H]123024.7Semi standard non polar33892256
Imipenem,2TBDMS,isomer #4C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SCC/N=C/N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C[C@H]123042.7Semi standard non polar33892256
Imipenem,3TBDMS,isomer #1C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N2C(C(=O)O[Si](C)(C)C(C)(C)C)=C(SCC/N=C/N[Si](C)(C)C(C)(C)C)C[C@H]123175.0Semi standard non polar33892256
Imipenem,3TBDMS,isomer #1C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N2C(C(=O)O[Si](C)(C)C(C)(C)C)=C(SCC/N=C/N[Si](C)(C)C(C)(C)C)C[C@H]123488.7Standard non polar33892256
Imipenem,3TBDMS,isomer #1C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N2C(C(=O)O[Si](C)(C)C(C)(C)C)=C(SCC/N=C/N[Si](C)(C)C(C)(C)C)C[C@H]123940.0Standard polar33892256
Imipenem,3TBDMS,isomer #2C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N2C(C(=O)O)=C(SCC/N=C/N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C[C@H]123202.9Semi standard non polar33892256
Imipenem,3TBDMS,isomer #2C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N2C(C(=O)O)=C(SCC/N=C/N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C[C@H]123518.9Standard non polar33892256
Imipenem,3TBDMS,isomer #2C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N2C(C(=O)O)=C(SCC/N=C/N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C[C@H]123800.3Standard polar33892256
Imipenem,3TBDMS,isomer #3C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O[Si](C)(C)C(C)(C)C)=C(SCC/N=C/N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C[C@H]123220.7Semi standard non polar33892256
Imipenem,3TBDMS,isomer #3C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O[Si](C)(C)C(C)(C)C)=C(SCC/N=C/N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C[C@H]123555.6Standard non polar33892256
Imipenem,3TBDMS,isomer #3C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O[Si](C)(C)C(C)(C)C)=C(SCC/N=C/N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C[C@H]123873.3Standard polar33892256
Imipenem,4TBDMS,isomer #1C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N2C(C(=O)O[Si](C)(C)C(C)(C)C)=C(SCC/N=C/N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C[C@H]123381.7Semi standard non polar33892256
Imipenem,4TBDMS,isomer #1C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N2C(C(=O)O[Si](C)(C)C(C)(C)C)=C(SCC/N=C/N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C[C@H]123777.9Standard non polar33892256
Imipenem,4TBDMS,isomer #1C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N2C(C(=O)O[Si](C)(C)C(C)(C)C)=C(SCC/N=C/N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C[C@H]123693.9Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Imipenem GC-MS (Non-derivatized) - 70eV, Positivesplash10-000y-9150000000-462b1a2f1803b594d4d82017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Imipenem GC-MS (2 TMS) - 70eV, Positivesplash10-009i-9416300000-144f90b8d8b4d5b915f12017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Imipenem GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Imipenem GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Imipenem 10V, Positive-QTOFsplash10-0h3s-3973000000-885401af8e32fab562772016-06-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Imipenem 20V, Positive-QTOFsplash10-0f7k-3490000000-71a354ac25ef670f7e552016-06-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Imipenem 40V, Positive-QTOFsplash10-01r5-8910000000-6be5fb1963bd187b30b32016-06-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Imipenem 10V, Negative-QTOFsplash10-0udl-3390000000-bdd7825d35f4fa7782d32016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Imipenem 20V, Negative-QTOFsplash10-0f79-9630000000-fc0b37e2773e0385e24f2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Imipenem 40V, Negative-QTOFsplash10-0f7o-9700000000-2d93b0c62bb2866f12422016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Imipenem 10V, Positive-QTOFsplash10-0udi-0049000000-036a1425b2ce831577562021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Imipenem 20V, Positive-QTOFsplash10-0r0r-0091000000-b0266dd67b8bcac9b8202021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Imipenem 40V, Positive-QTOFsplash10-03gj-9640000000-118776f48915723d047f2021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Imipenem 10V, Negative-QTOFsplash10-0002-3090000000-35b1ed105590a664c8482021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Imipenem 20V, Negative-QTOFsplash10-001i-0920000000-e0bfaa17bbc903760f9d2021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Imipenem 40V, Negative-QTOFsplash10-001i-4940000000-7d1255e0c1ee70f837432021-10-11Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
  • Membrane
Biospecimen Locations
  • Blood
  • Urine
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableTaking drug identified by DrugBank entry DB01598 details
UrineExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableTaking drug identified by DrugBank entry DB01598 details
Abnormal Concentrations
Not Available
Predicted Concentrations
BiospecimenValueOriginal ageOriginal sexOriginal conditionComments
Blood0.000 uMAdult (>18 years old)BothNormalPredicted based on drug qualities
Blood0.000 umol/mmol creatinineAdult (>18 years old)BothNormalPredicted based on drug qualities
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDDB01598
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID94631
KEGG Compound IDC06665
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkImipenem
METLIN IDNot Available
PubChem Compound104838
PDB IDNot Available
ChEBI ID471744
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. Richerson MA, Ambrose PG, Quintiliani R, Nightingale CH: Formulary review of the carbapenems: comparison of imipenem/cilastatin and meropenem. Conn Med. 1998 Mar;62(3):165-9. [PubMed:9573653 ]
  2. Buckley MM, Brogden RN, Barradell LB, Goa KL: Imipenem/cilastatin. A reappraisal of its antibacterial activity, pharmacokinetic properties and therapeutic efficacy. Drugs. 1992 Sep;44(3):408-44. [PubMed:1382937 ]
  3. Hellinger WC, Brewer NS: Imipenem. Mayo Clin Proc. 1991 Oct;66(10):1074-81. [PubMed:1921491 ]
  4. Pastel DA: Imipenem-cilastatin sodium, a broad-spectrum carbapenem antibiotic combination. Clin Pharm. 1986 Sep;5(9):719-36. [PubMed:3530614 ]
  5. Clissold SP, Todd PA, Campoli-Richards DM: Imipenem/cilastatin. A review of its antibacterial activity, pharmacokinetic properties and therapeutic efficacy. Drugs. 1987 Mar;33(3):183-241. [PubMed:3552595 ]
  6. Birnbaum J, Kahan FM, Kropp H, MacDonald JS: Carbapenems, a new class of beta-lactam antibiotics. Discovery and development of imipenem/cilastatin. Am J Med. 1985 Jun 7;78(6A):3-21. [PubMed:3859213 ]
  7. Kahan FM, Kropp H, Sundelof JG, Birnbaum J: Thienamycin: development of imipenen-cilastatin. J Antimicrob Chemother. 1983 Dec;12 Suppl D:1-35. [PubMed:6365872 ]
  8. Kattan JN, Villegas MV, Quinn JP: New developments in carbapenems. Clin Microbiol Infect. 2008 Dec;14(12):1102-11. doi: 10.1111/j.1469-0691.2008.02101.x. [PubMed:19076841 ]