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Sulopenem etzadroxil

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

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Identification

Generic Name
Sulopenem etzadroxil
DrugBank Accession Number
DB16335
Background

Sulopenem etzadroxil is under investigation in clinical trial NCT03354598 (Oral Sulopenem-etzadroxil/probenecid Versus Ciprofloxacin for Uncomplicated Urinary Tract Infection in Adult Women).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 477.61
Monoisotopic: 477.094965735
Chemical Formula
C19H27NO7S3
Synonyms
  • Sulopenem etzadroxil
External IDs
  • PF-03709270
  • PF03709270
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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Pharmacodynamics

Not Available

Mechanism of action
Not Available
Absorption

Not Available

Volume of distribution

Not Available

Protein binding

Not Available

Metabolism
Not Available
Route of elimination

Not Available

Half-life

Not Available

Clearance

Not Available

Adverse Effects
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Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Not Available
Food Interactions
Not Available

Categories

Drug Categories
Not Available
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
492M3I304T
CAS number
1000296-70-7
InChI Key
NBPVNGWRLGHULH-CSOWVJSESA-N
InChI
InChI=1S/C19H27NO7S3/c1-4-11(5-2)17(23)26-9-27-18(24)14-19(28-12-6-7-30(25)8-12)29-16-13(10(3)21)15(22)20(14)16/h10-13,16,21H,4-9H2,1-3H3/t10-,12+,13+,16-,30-/m1/s1
IUPAC Name
(1R,3S)-3-{[(5R,6S)-2-({[(2-ethylbutanoyl)oxy]methoxy}carbonyl)-6-[(1R)-1-hydroxyethyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-en-3-yl]sulfanyl}thiolan-1-ium-1-olate
SMILES
[H][C@]12SC(S[C@H]3CC[S@@+]([O-])C3)=C(N1C(=O)[C@]2([H])[C@@H](C)O)C(=O)OCOC(=O)C(CC)CC

References

General References
Not Available
ChemSpider
30790976
ZINC
ZINC000056898865

Clinical Trials

Clinical Trials
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PhaseStatusPurposeConditionsCountStart DateWhy Stopped100+ additional columns
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Not AvailableNo Longer AvailableNot AvailableAcute Tubulo-Interstitial Nephritis / Complicated Urinary Tract Infection1somestatusstop reasonjust information to hide
3CompletedTreatmentComplicated Urinary Tract Infection1somestatusstop reasonjust information to hide
3CompletedTreatmentCystitis / Urinary Tract Infection1somestatusstop reasonjust information to hide
3CompletedTreatmentIntraabdominal Infections1somestatusstop reasonjust information to hide
3CompletedTreatmentUncomplicated Urinary Tract Infections1somestatusstop reasonjust information to hide

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility1.29 mg/mLALOGPS
logP1.57ALOGPS
logP1.05Chemaxon
logS-2.6ALOGPS
pKa (Strongest Acidic)14.84Chemaxon
pKa (Strongest Basic)-2.8Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area110.21 Å2Chemaxon
Rotatable Bond Count11Chemaxon
Refractivity126.97 m3·mol-1Chemaxon
Polarizability49.03 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-004i-0000900000-bdb85b6a696af404c281
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0005-4928100000-ddf3d8276ad73351a7bb
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-01t9-1008900000-79046b8011feed1e2f38
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0fal-2559300000-4d4982df81132d9888ac
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0006-4319100000-3792859fc486c19afac4
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-000y-5649000000-b974926a8abf253a907d
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-221.0850388
predicted
DarkChem Lite v0.1.0
[M+H]+221.1639388
predicted
DarkChem Lite v0.1.0
[M+Na]+220.1985388
predicted
DarkChem Lite v0.1.0

Drug created at December 15, 2020 20:02 / Updated at February 24, 2021 23:07