Propicillin

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

Products

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Product Ingredients
IngredientUNIICASInChI Key
Propicillin potassium75RXW2P83Y1245-44-9ULBKMFLWMIGVOJ-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
ChemSpider
83843
RxNav
34649
ChEBI
52429
ChEMBL
CHEMBL2105612
Wikipedia
Propicillin

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

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

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.22 mg/mLALOGPS
logP2.58ALOGPS
logP1.85Chemaxon
logS-3.2ALOGPS
pKa (Strongest Acidic)3.39Chemaxon
pKa (Strongest Basic)-4.9Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area95.94 Å2Chemaxon
Rotatable Bond Count6Chemaxon
Refractivity94.79 m3·mol-1Chemaxon
Polarizability38.06 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/MSsplash10-03g0-0954000000-c0a37600f9afaf8643a9
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-000i-0594000000-0e099d2bf57c326d1d02
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-004j-4941000000-1e44e63c73fc531ef984
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-000m-5697000000-9f78e70ccba3bd97b5b6
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-01ta-8911000000-0401dd8659edc74bfe92
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-9010000000-8b2ecc041cb4297ef9a2
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]-200.8798184
predicted
DarkChem Lite v0.1.0
[M-H]-174.1921
predicted
DeepCCS 1.0 (2019)
[M+H]+200.8948184
predicted
DarkChem Lite v0.1.0
[M+H]+176.58786
predicted
DeepCCS 1.0 (2019)
[M+Na]+200.8769184
predicted
DarkChem Lite v0.1.0
[M+Na]+182.50038
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:46 / Updated at February 21, 2021 18:54