Propicillin
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Propicillin
- DrugBank Accession Number
- DB13660
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
- Weight
- Average: 378.44
Monoisotopic: 378.12494299 - Chemical Formula
- C18H22N2O5S
- Synonyms
- propicilina
- Propicillin
- propicilline
- propicillinum
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 Propicillin which could result in a higher serum level. Acenocoumarol Propicillin may increase the anticoagulant activities of Acenocoumarol. Ambroxol The risk or severity of methemoglobinemia can be increased when Propicillin is combined with Ambroxol. Amikacin The serum concentration of Amikacin can be decreased when it is combined with Propicillin. Articaine The risk or severity of methemoglobinemia can be increased when Propicillin 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 Propicillin potassium 75RXW2P83Y 1245-44-9 ULBKMFLWMIGVOJ-CFXUUZMDSA-M
Categories
- ATC Codes
- J01CE03 — Propicillin
- 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
- Phenoxy compounds / Phenol ethers / Penams / Alkyl aryl ethers / Thiazolidines / Tertiary carboxylic acid amides / Azetidines / Thiohemiaminal derivatives / Azacyclic compounds / Propargyl-type 1,3-dipolar organic compounds show 9 more
- Substituents
- Alkyl aryl ether / Aromatic heteropolycyclic compound / Azacycle / Azetidine / Benzenoid / Beta-lactam / Carbonyl group / Carboxamide group / Carboximidic acid / Carboximidic acid derivative show 24 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- penicillin (CHEBI:52429)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 8X1R260V33
- CAS number
- 551-27-9
- InChI Key
- HOCWPKXKMNXINF-XQERAMJGSA-N
- InChI
- InChI=1S/C18H22N2O5S/c1-4-11(25-10-8-6-5-7-9-10)14(21)19-12-15(22)20-13(17(23)24)18(2,3)26-16(12)20/h5-9,11-13,16H,4H2,1-3H3,(H,19,21)(H,23,24)/t11?,12-,13+,16-/m1/s1
- IUPAC Name
- (2S,5R,6R)-3,3-dimethyl-7-oxo-6-(2-phenoxybutanamido)-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(CC)OC1=CC=CC=C1)C(O)=O
References
- General References
- Not Available
- External Links
- ChemSpider
- 83843
- 34649
- ChEBI
- 52429
- ChEMBL
- CHEMBL2105612
- Wikipedia
- Propicillin
Clinical Trials
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
Form Route Strength Tablet - Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.22 mg/mL ALOGPS logP 2.58 ALOGPS logP 1.85 Chemaxon logS -3.2 ALOGPS pKa (Strongest Acidic) 3.39 Chemaxon pKa (Strongest Basic) -4.9 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 95.94 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 94.79 m3·mol-1 Chemaxon Polarizability 38.06 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 Yes Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-03g0-0954000000-c0a37600f9afaf8643a9 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-000i-0594000000-0e099d2bf57c326d1d02 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-004j-4941000000-1e44e63c73fc531ef984 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-000m-5697000000-9f78e70ccba3bd97b5b6 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-01ta-8911000000-0401dd8659edc74bfe92 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0006-9010000000-8b2ecc041cb4297ef9a2 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]- 200.8798184 predictedDarkChem Lite v0.1.0 [M-H]- 174.1921 predictedDeepCCS 1.0 (2019) [M+H]+ 200.8948184 predictedDarkChem Lite v0.1.0 [M+H]+ 176.58786 predictedDeepCCS 1.0 (2019) [M+Na]+ 200.8769184 predictedDarkChem Lite v0.1.0 [M+Na]+ 182.50038 predictedDeepCCS 1.0 (2019)
Drug created at June 23, 2017 20:46 / Updated at February 21, 2021 18:54