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Camylofin

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

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Identification

Generic Name
Camylofin
DrugBank Accession Number
DB13738
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 320.477
Monoisotopic: 320.246378278
Chemical Formula
C19H32N2O2
Synonyms
  • Camylofin
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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
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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
AclidiniumThe risk or severity of adverse effects can be increased when Camylofin is combined with Aclidinium.
AdenosineThe risk or severity of Tachycardia can be increased when Adenosine is combined with Camylofin.
AlbuterolThe risk or severity of Tachycardia can be increased when Salbutamol is combined with Camylofin.
AlfentanilThe risk or severity of adverse effects can be increased when Camylofin is combined with Alfentanil.
AlloinThe therapeutic efficacy of Alloin can be decreased when used in combination with Camylofin.
Food Interactions
Not Available

Categories

ATC Codes
A03AA03 — CamylofinA03DA05 — Camylofin and analgesics
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.
Kingdom
Organic compounds
Super Class
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Sub Class
Amino acids, peptides, and analogues
Direct Parent
Alpha amino acid esters
Alternative Parents
Aralkylamines / Benzene and substituted derivatives / Trialkylamines / Carboxylic acid esters / Monocarboxylic acids and derivatives / Dialkylamines / Organopnictogen compounds / Organic oxides / Hydrocarbon derivatives / Carbonyl compounds
Substituents
Alpha-amino acid ester / Amine / Aralkylamine / Aromatic homomonocyclic compound / Benzenoid / Carbonyl group / Carboxylic acid ester / Hydrocarbon derivative / Monocarboxylic acid or derivatives / Monocyclic benzene moiety
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
340B6Q764V
CAS number
54-30-8
InChI Key
RYOOHIUJEJZCFT-UHFFFAOYSA-N
InChI
InChI=1S/C19H32N2O2/c1-5-21(6-2)14-13-20-18(17-10-8-7-9-11-17)19(22)23-15-12-16(3)4/h7-11,16,18,20H,5-6,12-15H2,1-4H3
IUPAC Name
3-methylbutyl 2-{[2-(diethylamino)ethyl]amino}-2-phenylacetate
SMILES
CCN(CC)CCNC(C(=O)OCCC(C)C)C1=CC=CC=C1

References

General References
Not Available
ChemSpider
5691
BindingDB
50237286
RxNav
20136
ChEBI
95216
ChEMBL
CHEMBL253592
Wikipedia
Camylofin

Clinical Trials

Clinical Trials
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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 Solubility0.067 mg/mLALOGPS
logP3.4ALOGPS
logP3.71Chemaxon
logS-3.7ALOGPS
pKa (Strongest Basic)9.19Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area41.57 Å2Chemaxon
Rotatable Bond Count12Chemaxon
Refractivity95.84 m3·mol-1Chemaxon
Polarizability38.55 Å3Chemaxon
Number of Rings1Chemaxon
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 MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-00dj-1394000000-bb5a57f2ff5c794cdea7
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0fr2-0942000000-f527337a0e5116d5b3cc
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0udi-1920000000-74041675f9545218a5c8
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-00ou-2900000000-14d994ec500b3d2ae03a
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0fl0-2900000000-a1d21331826f57f1440a
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0udi-1900000000-496846e279125db3570b
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]-178.73473
predicted
DeepCCS 1.0 (2019)
[M+H]+181.09273
predicted
DeepCCS 1.0 (2019)
[M+Na]+187.18587
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:47 / Updated at February 21, 2021 18:54