Sulbenicillin

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

Identification

Generic Name
Sulbenicillin
DrugBank Accession Number
DB13693
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
Weight
Average: 414.45
Monoisotopic: 414.055543276
Chemical Formula
C16H18N2O7S2
Synonyms
  • Sulbenicillin

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.
DrugInteraction
AcemetacinAcemetacin may decrease the excretion rate of Sulbenicillin which could result in a higher serum level.
AcenocoumarolSulbenicillin may increase the anticoagulant activities of Acenocoumarol.
AmbroxolThe risk or severity of methemoglobinemia can be increased when Sulbenicillin is combined with Ambroxol.
AmikacinThe serum concentration of Amikacin can be decreased when it is combined with Sulbenicillin.
ArticaineThe risk or severity of methemoglobinemia can be increased when Sulbenicillin is combined with Articaine.
Food Interactions
Not Available

Products

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Product Ingredients
IngredientUNIICASInChI Key
Sulbenicillin sodium29SO9LIM1Q36417-90-0FWRNIJIOFYDBES-ZQDFAFASSA-L

Categories

ATC Codes
J01CA16 — Sulbenicillin
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom.
Kingdom
Organic compounds
Super Class
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Sub Class
Amino acids, peptides, and analogues
Direct Parent
N-acyl-alpha amino acids and derivatives
Alternative Parents
Penams / Benzene and substituted derivatives / Alkanesulfonic acids / Thiazolidines / Tertiary carboxylic acid amides / Sulfonyls / Organosulfonic acids / Azetidines / Thiohemiaminal derivatives / Azacyclic compounds
show 9 more
Substituents
Alkanesulfonic acid / Aromatic heteropolycyclic compound / Azacycle / Azetidine / Benzenoid / Beta-lactam / Carbonyl group / Carboxamide group / Carboximidic acid / Carboximidic acid derivative
show 25 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
Q2VYF0562D
CAS number
41744-40-5
InChI Key
JETQIUPBHQNHNZ-NJBDSQKTSA-N
InChI
InChI=1S/C16H18N2O7S2/c1-16(2)11(15(21)22)18-13(20)9(14(18)26-16)17-12(19)10(27(23,24)25)8-6-4-3-5-7-8/h3-7,9-11,14H,1-2H3,(H,17,19)(H,21,22)(H,23,24,25)/t9-,10-,11+,14-/m1/s1
IUPAC Name
(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2R)-2-phenyl-2-sulfoacetamido]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
SMILES
[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@@H](C1=CC=CC=C1)S(O)(=O)=O)C(O)=O

References

General References
Not Available
ChemSpider
16736045
RxNav
10168
ChEMBL
CHEMBL3306853
ZINC
ZINC000003875033
Wikipedia
Sulbenicillin

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
FormRouteStrength
Injection, powder, for solution1 g
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.741 mg/mLALOGPS
logP-0.2ALOGPS
logP0.38Chemaxon
logS-2.8ALOGPS
pKa (Strongest Acidic)-1.1Chemaxon
pKa (Strongest Basic)-6.4Chemaxon
Physiological Charge-2Chemaxon
Hydrogen Acceptor Count7Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area141.08 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity94.51 m3·mol-1Chemaxon
Polarizability38.13 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-006x-9523000000-f5b3290d68b58da2a8ad
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4i-0590200000-33527abb8de118d5c1b8
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0fk9-3079000000-e4688548d95b33cd2622
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0705-1931000000-e96b74869258877428cc
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-00di-5297000000-ecaf2c58f7cb52f90631
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0296-2901000000-8d8a598492324685929f
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-000x-9121000000-fe3b260fb592bc8c7b64
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]-194.9826094
predicted
DarkChem Lite v0.1.0
[M-H]-189.32915
predicted
DeepCCS 1.0 (2019)
[M+H]+193.4185094
predicted
DarkChem Lite v0.1.0
[M+H]+191.72473
predicted
DeepCCS 1.0 (2019)
[M+Na]+194.3714094
predicted
DarkChem Lite v0.1.0
[M+Na]+197.63725
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:46 / Updated at September 25, 2021 23:52