Epicillin
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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
- Epicillin
- DrugBank Accession Number
- DB13300
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
- Weight
- Average: 351.42
Monoisotopic: 351.125277342 - Chemical Formula
- C16H21N3O4S
- Synonyms
- Epicillin
- External IDs
- SQ 11,302
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 Epicillin which could result in a higher serum level. Acenocoumarol Epicillin may increase the anticoagulant activities of Acenocoumarol. Ambroxol The risk or severity of methemoglobinemia can be increased when Epicillin is combined with Ambroxol. Amikacin The serum concentration of Amikacin can be decreased when it is combined with Epicillin. Articaine The risk or severity of methemoglobinemia can be increased when Epicillin is combined with Articaine. - Food Interactions
- Not Available
Categories
- ATC Codes
- J01CA07 — Epicillin
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as penicillins. These are organic compounds containing the penicillin core structure, which is structurally characterized by a penam ring bearing two methyl groups at position 2, and an amide group at position 6 [starting from the sulfur atom at position 1].
- Kingdom
- Organic compounds
- Super Class
- Organoheterocyclic compounds
- Class
- Lactams
- Sub Class
- Beta lactams
- Direct Parent
- Penicillins
- Alternative Parents
- N-acyl-alpha amino acids and derivatives / Alpha amino acid amides / Thiazolidines / Tertiary carboxylic acid amides / Secondary carboxylic acid amides / Amino acids / Azetidines / Thiohemiaminal derivatives / Monocarboxylic acids and derivatives / Azacyclic compounds show 7 more
- Substituents
- Aliphatic heteropolycyclic compound / Alpha-amino acid amide / Alpha-amino acid or derivatives / Amine / Amino acid / Amino acid or derivatives / Azacycle / Azetidine / Carbonyl group / Carboxamide group show 20 more
- Molecular Framework
- Aliphatic heteropolycyclic compounds
- External Descriptors
- penicillin (CHEBI:58974)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 3LU1L73C8Y
- CAS number
- 26774-90-3
- InChI Key
- RPBAFSBGYDKNRG-NJBDSQKTSA-N
- InChI
- InChI=1S/C16H21N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8/h3-4,7,9-11,14H,5-6,17H2,1-2H3,(H,18,20)(H,22,23)/t9-,10-,11+,14-/m1/s1
- IUPAC Name
- (2S,5R,6R)-6-[(2R)-2-amino-2-(cyclohexa-1,4-dien-1-yl)acetamido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
- SMILES
- CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)C3=CCC=CC3)C(=O)N2[C@H]1C(O)=O
References
- General References
- Not Available
- External Links
- ChemSpider
- 64486
- ChEBI
- 58974
- ChEMBL
- CHEMBL2104266
- ZINC
- ZINC000004215810
- Wikipedia
- Epicillin
Clinical Trials
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
Property Value Source Water Solubility 0.792 mg/mL ALOGPS logP 1.04 ALOGPS logP -2.3 Chemaxon logS -2.6 ALOGPS pKa (Strongest Acidic) 3.25 Chemaxon pKa (Strongest Basic) 7.6 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 112.73 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 90.55 m3·mol-1 Chemaxon Polarizability 35.64 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No 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 splash10-0a4i-2900000000-c7045805484f31f6dd66 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-05fr-0090000000-432f4a75cb027482cca0 Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-03di-0900000000-93ae34dd8e88366c2af4 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0bt9-0900000000-724ad00cbf046dca23d2 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0ab9-1096000000-356bc2abb0c401208536 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-00kf-6901000000-219e0d19416ae4cfa73f Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0006-9520000000-06e0a93711d3972e12e1 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]- 184.4205316 predictedDarkChem Lite v0.1.0 [M-H]- 188.12263 predictedDeepCCS 1.0 (2019) [M+H]+ 184.9170316 predictedDarkChem Lite v0.1.0 [M+H]+ 190.51819 predictedDeepCCS 1.0 (2019) [M+Na]+ 184.1060316 predictedDarkChem Lite v0.1.0 [M+Na]+ 196.43071 predictedDeepCCS 1.0 (2019)
Drug created at June 23, 2017 20:39 / Updated at February 21, 2021 18:54