Aspoxicillin

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

Identification

Generic Name
Aspoxicillin
DrugBank Accession Number
DB13816
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
Thumb
Weight
Average: 493.54
Monoisotopic: 493.163119403
Chemical Formula
C21H27N5O7S
Synonyms
  • Aspoxicillin

Pharmacology

Indication

Not Available

Pharmacology
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Contraindications & Blackbox Warnings
Contraindications
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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
Medicalerrors
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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 Aspoxicillin which could result in a higher serum level.
AcenocoumarolAspoxicillin may increase the anticoagulant activities of Acenocoumarol.
AmikacinThe serum concentration of Amikacin can be decreased when it is combined with Aspoxicillin.
AtracuriumThe therapeutic efficacy of Atracurium can be increased when used in combination with Aspoxicillin.
Atracurium besylateThe therapeutic efficacy of Atracurium besylate can be increased when used in combination with Aspoxicillin.
BCG vaccineThe therapeutic efficacy of BCG vaccine can be decreased when used in combination with Aspoxicillin.
CapreomycinThe serum concentration of Capreomycin can be decreased when it is combined with Aspoxicillin.
CinoxacinThe serum concentration of Cinoxacin can be increased when it is combined with Aspoxicillin.
CiprofloxacinThe serum concentration of Ciprofloxacin can be increased when it is combined with Aspoxicillin.
CisatracuriumThe therapeutic efficacy of Cisatracurium can be increased when used in combination with Aspoxicillin.
Interactions
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Food Interactions
Not Available

Categories

ATC Codes
J01CA19 — Aspoxicillin
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.
Kingdom
Organic compounds
Super Class
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Sub Class
Amino acids, peptides, and analogues
Direct Parent
Peptides
Alternative Parents
N-acyl-alpha amino acids and derivatives / Penams / 1-hydroxy-2-unsubstituted benzenoids / Benzene and substituted derivatives / Thiazolidines / Tertiary carboxylic acid amides / Amino acids / Azetidines / Thiohemiaminal derivatives / Propargyl-type 1,3-dipolar organic compounds
show 10 more
Substituents
1-hydroxy-2-unsubstituted benzenoid / Alpha peptide / Alpha-amino acid or derivatives / Amine / Amino acid / Amino acid or derivatives / Aromatic heteropolycyclic compound / Azacycle / Azetidine / Benzenoid
show 29 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
peptide (CHEBI:31240)
Affected organisms
Not Available

Chemical Identifiers

UNII
0745KNO26J
CAS number
63358-49-6
InChI Key
BHELIUBJHYAEDK-OAIUPTLZSA-N
InChI
InChI=1S/C21H27N5O7S/c1-21(2)15(20(32)33)26-18(31)14(19(26)34-21)25-17(30)13(9-4-6-10(27)7-5-9)24-16(29)11(22)8-12(28)23-3/h4-7,11,13-15,19,27H,8,22H2,1-3H3,(H,23,28)(H,24,29)(H,25,30)(H,32,33)/t11-,13-,14-,15+,19-/m1/s1
IUPAC Name
(2S,5R,6R)-6-[(2R)-2-[(2R)-2-amino-3-(methylcarbamoyl)propanamido]-2-(4-hydroxyphenyl)acetamido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
SMILES
CNC(=O)C[C@@H](N)C(=O)N[C@@H](C(=O)N[C@H]1[C@H]2SC(C)(C)[C@@H](N2C1=O)C(O)=O)C1=CC=C(O)C=C1

References

General References
Not Available
KEGG Drug
D07469
KEGG Compound
C13269
ChemSpider
64968
ChEBI
31240
ChEMBL
CHEMBL1318150
ZINC
ZINC000003871610

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

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

Properties

State
Solid
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.518 mg/mLALOGPS
logP0.59ALOGPS
logP-4.1ChemAxon
logS-3ALOGPS
pKa (Strongest Acidic)3.18ChemAxon
pKa (Strongest Basic)7.04ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count8ChemAxon
Hydrogen Donor Count6ChemAxon
Polar Surface Area191.16 Å2ChemAxon
Rotatable Bond Count8ChemAxon
Refractivity119.56 m3·mol-1ChemAxon
Polarizability48.38 Å3ChemAxon
Number of Rings3ChemAxon
Bioavailability1ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
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/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Drug created on June 23, 2017 20:49 / Updated on February 21, 2021 18:54