Carfecillin

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

Identification

Logo pink
Are you a
new drug developer?
Contact us to learn more about our customized products and solutions.
Name
Carfecillin
Accession Number
DB13506
Type
Small Molecule
Groups
Experimental
Description
Not Available
Structure
Thumb
Synonyms
  • Carbenicillin phenyl
  • carfecilina
Categories
UNII
9UU4XDB74X
CAS number
27025-49-6
Weight
Average: 454.5
Monoisotopic: 454.11985761
Chemical Formula
C23H22N2O6S
InChI Key
NZDASSHFKWDBBU-KVMCETHSSA-N
InChI
InChI=1S/C23H22N2O6S/c1-23(2)17(21(28)29)25-19(27)16(20(25)32-23)24-18(26)15(13-9-5-3-6-10-13)22(30)31-14-11-7-4-8-12-14/h3-12,15-17,20H,1-2H3,(H,24,26)(H,28,29)/t15?,16-,17+,20-/m1/s1
IUPAC Name
(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[2-phenyl-2-(phenyl carboxy)acetamido]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
SMILES
CC1(C)S[C@@H]2[C@H](NC(=O)C(C(=O)OC3=CC=CC=C3)C3=CC=CC=C3)C(=O)N2[C@H]1C(O)=O

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
DrugInteraction
(R)-warfarinCarfecillin may increase the anticoagulant activities of (R)-warfarin.
(S)-WarfarinCarfecillin may increase the anticoagulant activities of (S)-Warfarin.
4-hydroxycoumarinCarfecillin may increase the anticoagulant activities of 4-hydroxycoumarin.
AcemetacinAcemetacin may decrease the excretion rate of Carfecillin which could result in a higher serum level.
AcenocoumarolCarfecillin may increase the anticoagulant activities of Acenocoumarol.
Adenovirus type 7 vaccine liveThe therapeutic efficacy of Adenovirus type 7 vaccine live can be decreased when used in combination with Carfecillin.
AlcuroniumThe therapeutic efficacy of Alcuronium can be increased when used in combination with Carfecillin.
AmikacinThe serum concentration of Amikacin can be decreased when it is combined with Carfecillin.
Anthrax immune globulin humanThe therapeutic efficacy of Anthrax immune globulin human can be decreased when used in combination with Carfecillin.
Anthrax vaccineThe therapeutic efficacy of Anthrax vaccine can be decreased when used in combination with Carfecillin.
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.

    Learn more
  • Evidence Level
    Evidence Level

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

    Learn more
  • Action
    Action

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

    Learn more
Food Interactions
Not Available

References

General References
Not Available
External Links
KEGG Compound
C11752
ChemSpider
31054
ChEBI
3414
ChEMBL
CHEMBL1095283
Wikipedia
Carfecillin
ATC Codes
G01AA08 — Carfecillin

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 Solubility0.018 mg/mLALOGPS
logP2.8ALOGPS
logP2.62ChemAxon
logS-4.4ALOGPS
pKa (Strongest Acidic)3.29ChemAxon
pKa (Strongest Basic)-6.3ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area113.01 Å2ChemAxon
Rotatable Bond Count7ChemAxon
Refractivity115.37 m3·mol-1ChemAxon
Polarizability45.34 Å3ChemAxon
Number of Rings4ChemAxon
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/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
Phenol esters / Penams / Phenoxy compounds / Dicarboxylic acids and derivatives / Thiazolidines / Tertiary carboxylic acid amides / Azetidines / Carboxylic acid esters / Thiohemiaminal derivatives / Dialkylthioethers
show 9 more
Substituents
N-acyl-alpha amino acid or derivatives / Phenol ester / Phenoxy compound / Penam / Monocyclic benzene moiety / Dicarboxylic acid or derivatives / Benzenoid / Beta-lactam / Tertiary carboxylic acid amide / Thiazolidine
show 23 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
penicillin (CHEBI:3414)

Drug created on June 23, 2017 14:43 / Updated on June 04, 2019 07:54