NAV

Decamethoxine

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

Identification

Generic Name
Decamethoxine
DrugBank Accession Number
DB13705
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
Similar Structures
Weight
Average: 693.92
Monoisotopic: 692.5025643
Chemical Formula
C38H74Cl2N2O4
Synonyms
  • Decamethoxin
External IDs
  • MM-692
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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
AcenocoumarolThe risk or severity of bleeding can be increased when Decamethoxine is combined with Acenocoumarol.
AmbroxolThe risk or severity of methemoglobinemia can be increased when Decamethoxine is combined with Ambroxol.
ArticaineThe risk or severity of methemoglobinemia can be increased when Decamethoxine is combined with Articaine.
BCG vaccineThe therapeutic efficacy of BCG vaccine can be decreased when used in combination with Decamethoxine.
BenzocaineThe risk or severity of methemoglobinemia can be increased when Decamethoxine is combined with Benzocaine.
Food Interactions
Not Available

Categories

ATC Codes
D08AJ10 — Decamethoxine
Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
81I73K1HKN
CAS number
38146-42-8
InChI Key
LRQIWRXCHWNNEA-MWZFJMJKSA-L
InChI
InChI=1S/C38H74N2O4.2ClH/c1-29(2)33-21-19-31(5)25-35(33)43-37(41)27-39(7,8)23-17-15-13-11-12-14-16-18-24-40(9,10)28-38(42)44-36-26-32(6)20-22-34(36)30(3)4;;/h29-36H,11-28H2,1-10H3;2*1H/q+2;;/p-2/t31-,32-,33+,34+,35-,36-;;/m1../s1
IUPAC Name
{10-[dimethyl(2-{[(1R,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexyl]oxy}-2-oxoethyl)azaniumyl]decyl}dimethyl(2-{[(1R,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexyl]oxy}-2-oxoethyl)azanium dichloride
SMILES
[Cl-].[Cl-].CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)C[N+](C)(C)CCCCCCCCCC[N+](C)(C)CC(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C

References

General References
Not Available
ChemSpider
52083646

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 Solubility3.1e-06 mg/mLALOGPS
logP3.06ALOGPS
logP0.74Chemaxon
logS-8.4ALOGPS
pKa (Strongest Basic)-7.5Chemaxon
Physiological Charge2Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area52.6 Å2Chemaxon
Rotatable Bond Count21Chemaxon
Refractivity207.03 m3·mol-1Chemaxon
Polarizability79.51 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-239.7363
predicted
DeepCCS 1.0 (2019)
[M+H]+242.06134
predicted
DeepCCS 1.0 (2019)
[M+Na]+247.8321
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:47 / Updated at June 12, 2020 16:53