NAV

Carboquone

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

Identification

Generic Name
Carboquone
DrugBank Accession Number
DB13677
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 321.333
Monoisotopic: 321.132470724
Chemical Formula
C15H19N3O5
Synonyms
  • Carboquona
  • Carboquone
  • Carboquonum
External IDs
  • CS 310
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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
Integrate drug-drug
interactions in your software
AmbroxolThe risk or severity of methemoglobinemia can be increased when Carboquone is combined with Ambroxol.
ArticaineThe risk or severity of methemoglobinemia can be increased when Carboquone is combined with Articaine.
BenzocaineThe risk or severity of methemoglobinemia can be increased when Carboquone is combined with Benzocaine.
Benzyl alcoholThe risk or severity of methemoglobinemia can be increased when Carboquone is combined with Benzyl alcohol.
BupivacaineThe risk or severity of methemoglobinemia can be increased when Carboquone is combined with Bupivacaine.
Food Interactions
Not Available

Categories

ATC Codes
L01AC03 — Carboquone
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as p-benzoquinones. These are benzoquinones where the two C=O groups are attached at the 1- and 4-positions, respectively.
Kingdom
Organic compounds
Super Class
Organic oxygen compounds
Class
Organooxygen compounds
Sub Class
Carbonyl compounds
Direct Parent
P-benzoquinones
Alternative Parents
Vinylogous amides / N-vinylaziridines / Carbamate esters / Trialkylamines / Organic carbonic acids and derivatives / Enamines / Dialkyl ethers / Azacyclic compounds / Organopnictogen compounds / Organic oxides
show 1 more
Substituents
Aliphatic heteromonocyclic compound / Amine / Azacycle / Aziridine / Carbamic acid ester / Carbonic acid derivative / Dialkyl ether / Enamine / Ether / Hydrocarbon derivative
show 11 more
Molecular Framework
Aliphatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
1CB0HBT12C
CAS number
24279-91-2
InChI Key
SHHKQEUPHAENFK-UHFFFAOYSA-N
InChI
InChI=1S/C15H19N3O5/c1-8-11(17-3-4-17)14(20)10(9(22-2)7-23-15(16)21)12(13(8)19)18-5-6-18/h9H,3-7H2,1-2H3,(H2,16,21)
IUPAC Name
2-[2,5-bis(aziridin-1-yl)-4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl]-2-methoxyethyl carbamate
SMILES
COC(COC(N)=O)C1=C(N2CC2)C(=O)C(C)=C(N2CC2)C1=O

References

General References
Not Available
ChemSpider
2471
ChEBI
31356
ChEMBL
CHEMBL443014
Wikipedia
Carboquone

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

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 Solubility16.4 mg/mLALOGPS
logP0.05ALOGPS
logP-0.37Chemaxon
logS-1.3ALOGPS
pKa (Strongest Acidic)15.21Chemaxon
pKa (Strongest Basic)-4.2Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area101.71 Å2Chemaxon
Rotatable Bond Count7Chemaxon
Refractivity83.51 m3·mol-1Chemaxon
Polarizability32.12 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/MSsplash10-0229-0096000000-5acc4e0707d3096f8cef
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0ab9-0095000000-18dbf7d98078a3112b5d
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-03mj-0092000000-d1d0b3b56336c10077af
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-00kb-1090000000-4b162ac3eebf330da84a
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-05fr-0093000000-fd826bc420050eab0ce9
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-9032000000-320484c1044146c54101
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]-179.8379
predicted
DeepCCS 1.0 (2019)
[M+H]+182.1959
predicted
DeepCCS 1.0 (2019)
[M+Na]+188.72572
predicted
DeepCCS 1.0 (2019)

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