NAV

Emylcamate

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

Identification

Generic Name
Emylcamate
DrugBank Accession Number
DB13572
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 145.202
Monoisotopic: 145.110278727
Chemical Formula
C7H15NO2
Synonyms
  • Emylcamate
External IDs
  • KABI-925
  • MK-250
  • NSC-169882
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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
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interactions in your software
1,2-BenzodiazepineThe risk or severity of CNS depression can be increased when 1,2-Benzodiazepine is combined with Emylcamate.
AcetazolamideThe risk or severity of CNS depression can be increased when Acetazolamide is combined with Emylcamate.
AcetophenazineThe risk or severity of CNS depression can be increased when Acetophenazine is combined with Emylcamate.
AgomelatineThe risk or severity of CNS depression can be increased when Agomelatine is combined with Emylcamate.
AlfentanilThe risk or severity of CNS depression can be increased when Alfentanil is combined with Emylcamate.
Food Interactions
Not Available

Categories

ATC Codes
N05BC03 — Emylcamate
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as carbamate esters. These are compounds containing an ester of carbamic acid with the general structure R2NC(=O)OR' (R' not H). They are esters of carbamic acids.
Kingdom
Organic compounds
Super Class
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Sub Class
Amino acids, peptides, and analogues
Direct Parent
Carbamate esters
Alternative Parents
Organic carbonic acids and derivatives / Organopnictogen compounds / Organonitrogen compounds / Organic oxides / Hydrocarbon derivatives / Carbonyl compounds
Substituents
Aliphatic acyclic compound / Carbamic acid ester / Carbonic acid derivative / Carbonyl group / Hydrocarbon derivative / Organic nitrogen compound / Organic oxide / Organic oxygen compound / Organonitrogen compound / Organooxygen compound
Molecular Framework
Aliphatic acyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
KCJ747D3R4
CAS number
78-28-4
InChI Key
SLWGJZPKHAXZQL-UHFFFAOYSA-N
InChI
InChI=1S/C7H15NO2/c1-4-7(3,5-2)10-6(8)9/h4-5H2,1-3H3,(H2,8,9)
IUPAC Name
3-methylpentan-3-yl carbamate
SMILES
CCC(C)(CC)OC(N)=O

References

General References
Not Available
ChemSpider
6278
ChEBI
134769
ChEMBL
CHEMBL2104208
ZINC
ZINC000000001350
Wikipedia
Emylcamate

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 Solubility8.38 mg/mLALOGPS
logP1.66ALOGPS
logP1.69Chemaxon
logS-1.2ALOGPS
pKa (Strongest Acidic)15.93Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count1Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area52.32 Å2Chemaxon
Rotatable Bond Count4Chemaxon
Refractivity38.94 m3·mol-1Chemaxon
Polarizability16.06 Å3Chemaxon
Number of Rings0Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
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-MSsplash10-004l-9200000000-5ecf88ad6da3731d90da
GC-MS Spectrum - EI-BGC-MSsplash10-006x-9000000000-887dd5d4a4fc6e232494
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-000i-9000000000-d1993870b056d6bb9659
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4i-9000000000-a6befc3f011294dcacf7
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0f6x-7900000000-f84a9298862bcc592772
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4i-9000000000-a7789222d40cd9115b6c
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-9000000000-f461e5b99fcc7f5d7143
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-9000000000-493e232d4be4b23e5a40
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]-133.5146533
predicted
DarkChem Lite v0.1.0
[M-H]-135.29149
predicted
DeepCCS 1.0 (2019)
[M+H]+132.9506533
predicted
DarkChem Lite v0.1.0
[M+H]+137.70073
predicted
DeepCCS 1.0 (2019)
[M+Na]+133.8018533
predicted
DarkChem Lite v0.1.0
[M+Na]+146.69633
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:44 / Updated at February 21, 2021 18:54