Clometocillin

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

Identification

Name
Clometocillin
Accession Number
DB13686
Type
Small Molecule
Groups
Experimental
Description
Not Available
Structure
Thumb
Synonyms
  • clometocilina
  • Clometocillin
Categories
UNII
YI8LL014GF
CAS number
1926-49-4
Weight
Average: 433.3
Monoisotopic: 432.0313483
Chemical Formula
C17H18Cl2N2O5S
InChI Key
JKXQBIZCQJLVOS-GSNLGQFWSA-N
InChI
InChI=1S/C17H18Cl2N2O5S/c1-17(2)12(16(24)25)21-14(23)10(15(21)27-17)20-13(22)11(26-3)7-4-5-8(18)9(19)6-7/h4-6,10-12,15H,1-3H3,(H,20,22)(H,24,25)/t10-,11?,12+,15-/m1/s1
IUPAC Name
(2S,5R,6R)-6-[2-(3,4-dichlorophenyl)-2-methoxyacetamido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
SMILES
COC(C(=O)N[C@H]1[C@H]2SC(C)(C)[C@@H](N2C1=O)C(O)=O)C1=CC=C(Cl)C(Cl)=C1

Pharmacology

Indication
Not Available
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
Toxicity
Not Available
Affected organisms
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
(R)-warfarinThe risk or severity of bleeding can be increased when Clometocillin is combined with (R)-warfarin.
(S)-WarfarinThe risk or severity of bleeding can be increased when Clometocillin is combined with (S)-Warfarin.
4-hydroxycoumarinThe risk or severity of bleeding can be increased when Clometocillin is combined with 4-hydroxycoumarin.
AcemetacinAcemetacin may decrease the excretion rate of Clometocillin which could result in a higher serum level.
AcenocoumarolThe risk or severity of bleeding can be increased when Clometocillin is combined with Acenocoumarol.
AlcuroniumThe therapeutic efficacy of Alcuronium can be increased when used in combination with Clometocillin.
AmikacinThe serum concentration of Amikacin can be decreased when it is combined with Clometocillin.
ApramycinThe serum concentration of Apramycin can be decreased when it is combined with Clometocillin.
ArbekacinThe serum concentration of Arbekacin can be decreased when it is combined with Clometocillin.
AtracuriumThe therapeutic efficacy of Atracurium can be increased when used in combination with Clometocillin.
Additional Data Available
  • Extended Description
    Extended Description

    Extended description of the mechanism of action and particular properties of each drug interaction.

    Learn more
  • Severity
    Severity

    A severity rating for each drug interaction, from minor to major.

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  • Evidence Level
    Evidence Level

    A rating for the strength of the evidence supporting each drug interaction.

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  • Action
    Action

    An effect category for each drug interaction. Know how this interaction affects the subject drug.

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Food Interactions
Not Available

References

General References
Not Available
External Links
ChemSpider
64831
ChEBI
131732
ChEMBL
CHEMBL2106548
Wikipedia
Clometocillin
ATC Codes
J01CE07 — Clometocillin

Clinical Trials

Clinical Trials
Not Available

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
PropertyValueSource
Water Solubility0.0282 mg/mLALOGPS
logP2.92ALOGPS
logP2.22ChemAxon
logS-4.2ALOGPS
pKa (Strongest Acidic)3.26ChemAxon
pKa (Strongest Basic)-4.2ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area95.94 Å2ChemAxon
Rotatable Bond Count5ChemAxon
Refractivity100.23 m3·mol-1ChemAxon
Polarizability40.62 Å3ChemAxon
Number of Rings3ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSNot Available
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

Taxonomy

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
Benzylethers / Penams / Dichlorobenzenes / Aryl chlorides / Thiazolidines / Tertiary carboxylic acid amides / Azetidines / Thiohemiaminal derivatives / Propargyl-type 1,3-dipolar organic compounds / Azacyclic compounds
show 11 more
Substituents
N-acyl-alpha amino acid or derivatives / Benzylether / 1,2-dichlorobenzene / Penam / Chlorobenzene / Halobenzene / Aryl chloride / Aryl halide / Monocyclic benzene moiety / Benzenoid
show 30 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on June 23, 2017 14:46 / Updated on June 12, 2020 10:53

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