Sulbenicillin
Star0
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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- 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
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- 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.
Drug Interaction Integrate drug-drug
interactions in your softwareAcemetacin Acemetacin may decrease the excretion rate of Sulbenicillin which could result in a higher serum level. Acenocoumarol Sulbenicillin may increase the anticoagulant activities of Acenocoumarol. Ambroxol The risk or severity of methemoglobinemia can be increased when Sulbenicillin is combined with Ambroxol. Amikacin The serum concentration of Amikacin can be decreased when it is combined with Sulbenicillin. Articaine The risk or severity of methemoglobinemia can be increased when Sulbenicillin is combined with Articaine. - Food Interactions
- Not Available
Products
- Drug product information from 10+ global regionsOur datasets provide approved product information including:dosage, form, labeller, route of administration, and marketing period.Access drug product information from over 10 global regions.
- Product Ingredients
Ingredient UNII CAS InChI Key Sulbenicillin sodium 29SO9LIM1Q 36417-90-0 FWRNIJIOFYDBES-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
- External Links
- ChemSpider
- 16736045
- 10168
- ChEMBL
- CHEMBL3306853
- ZINC
- ZINC000003875033
- Wikipedia
- Sulbenicillin
Clinical Trials
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
Form Route Strength Injection, powder, for solution 1 g - Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.741 mg/mL ALOGPS logP -0.2 ALOGPS logP 0.38 Chemaxon logS -2.8 ALOGPS pKa (Strongest Acidic) -1.1 Chemaxon pKa (Strongest Basic) -6.4 Chemaxon Physiological Charge -2 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 141.08 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 94.51 m3·mol-1 Chemaxon Polarizability 38.13 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted GC-MS Spectrum - GC-MS Predicted GC-MS splash10-006x-9523000000-f5b3290d68b58da2a8ad Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-0a4i-0590200000-33527abb8de118d5c1b8 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0fk9-3079000000-e4688548d95b33cd2622 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0705-1931000000-e96b74869258877428cc Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-00di-5297000000-ecaf2c58f7cb52f90631 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0296-2901000000-8d8a598492324685929f Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-000x-9121000000-fe3b260fb592bc8c7b64 Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 194.9826094 predictedDarkChem Lite v0.1.0 [M-H]- 189.32915 predictedDeepCCS 1.0 (2019) [M+H]+ 193.4185094 predictedDarkChem Lite v0.1.0 [M+H]+ 191.72473 predictedDeepCCS 1.0 (2019) [M+Na]+ 194.3714094 predictedDarkChem Lite v0.1.0 [M+Na]+ 197.63725 predictedDeepCCS 1.0 (2019)
Drug created at June 23, 2017 20:46 / Updated at September 25, 2021 23:52