NAV

Ethylenediamine

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

Identification

Generic Name
Ethylenediamine
DrugBank Accession Number
DB14189
Background

Ethylenediamine is an organic compound that is used as a building block for the production of many other chemical products. It is also used as an excipient in many pharmacological preparations such as creams. Notably, ethylenediamine is a contact sensitizer capable of producing local and generalized reactions 1. Sensitivity to ethylenediamine may be identified with a clinical patch test.

Type
Small Molecule
Groups
Approved, Experimental
Structure
3D
Similar Structures
Weight
Average: 60.0983
Monoisotopic: 60.068748266
Chemical Formula
C2H8N2
Synonyms
  • 1,2-diaminoethane
  • Aethaldiamin
  • edamine
  • ethane-1,2-diamine
  • Ethyleendiamine
  • Ethylendiamine
  • Ethylene-diamine
  • Ethylenediamine
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Pharmacology

Indication

Ethylenediamine is approved for use within allergenic epicutaneous patch tests which are indicated for use as an aid in the diagnosis of allergic contact dermatitis (ACD) in persons 6 years of age and older.

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Contraindications & Blackbox Warnings
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Pharmacodynamics

Not Available

Mechanism of action
Not Available
Absorption

After oral administration its bioavailability is about 0.34, due to a substantial first-pass effect1.

Volume of distribution

Vd = 0.133 l/kg 1

Protein binding

Not Available

Metabolism
Not Available
Route of elimination

Renal excretion of the unchanged substance amounts to only about 18% after intravenous and 3% after oral administration1.

Half-life

Ethylenediamine has a short half life of ~0.55 hours 1.

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.
Not Available
Food Interactions
Not Available

Products

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Mixture Products
NameIngredientsDosageRouteLabellerMarketing StartMarketing EndRegionImage
T.R.U.E. Test Thin-Layer Rapid Use Patch TestEthylenediamine (18 ug/48h) + 2,2'-Dibenzothiazyl disulfide (20 ug/48h) + 2-mercaptobenzothiazole (61 ug/48h) + 4-(Isopropylamino)diphenylamine (10 ug/48h) + Bacitracin (486 ug/48h) + Balsam of Peru (648 ug/48h) + Benzocaine (378 ug/48h) + Benzylparaben (162 ug/48h) + Bisphenol A diglycidyl ether (32 ug/48h) + Bromothalonil (4 ug/48h) + Bronopol (203 ug/48h) + Budesonide (0.8 ug/48h) + Butylparaben (162 ug/48h) + Chlorquinaldol (77 ug/48h) + Cinchocaine hydrochloride (66 ug/48h) + Cinnamaldehyde (41 ug/48h) + Cinnamyl alcohol (63 ug/48h) + Clioquinol (77 ug/48h) + Cobalt chloride hexahydrate (4 ug/48h) + Diazolidinylurea (446 ug/48h) + Potassium dichromate (15.7 ug/48h) + Dipentamethylenethiuram disulfide (5.5 ug/48h) + Diphenylguanidine (68 ug/48h) + Disperse Blue 106 (41 ug/48h) + Disulfiram (5.5 ug/48h) + Ditiocarb zinc (68 ug/48h) + Ethyl hydroxybenzoate (162 ug/48h) + Eugenol (41 ug/48h) + Evernia prunastri (81 ug/48h) + Formaldehyde (146 ug/48h) + Geraniol (81 ug/48h) + Hydrocortisone butyrate (16 ug/48h) + Hydroxycitronellal (63 ug/48h) + Imidurea (486 ug/48h) + Isoeugenol (17 ug/48h) + Lanolin alcohols (810 ug/48h) + Methylchloroisothiazolinone (3 ug/48h) + Methylparaben (162 ug/48h) + Morpholinylmercaptobenzothiazole (20 ug/48h) + N,N'-diphenyl-1,4-phenylenediamine (25 ug/48h) + N-Cyclohexyl-N'-phenyl-1,4-phenylenediamine (25 ug/48h) + Neomycin sulfate (486 ug/48h) + Nickel sulfate hexahydrate (36 ug/48h) + Parthenolide (2 ug/48h) + Propylparaben (162 ug/48h) + Quaternium-15 (81 ug/48h) + Rosin (972 ug/48h) + Sodium aurotiosulfate (23 ug/48h) + Tetracaine hydrochloride (66 ug/48h) + Tetramethylthiuram monosulfide (5.5 ug/48h) + Thimerosal (6 ug/48h) + Thiohexam (20 ug/48h) + Thiram (5.5 ug/48h) + Tixocortol pivalate (2 ug/48h) + Zinc dibutyldithiocarbamate (68 ug/48h) + alpha-Amyl cinnamaldehyde (17 ug/48h) + p-Phenylenediamine (65 ug/48h) + p-tert-Butylphenol-formaldehyde resin (low molecular weight) (36 ug/48h)KitCutaneousSmartPractice Denmark ApS2012-03-01Not applicableUS flag

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as monoalkylamines. These are organic compounds containing an primary aliphatic amine group.
Kingdom
Organic compounds
Super Class
Organic nitrogen compounds
Class
Organonitrogen compounds
Sub Class
Amines
Direct Parent
Monoalkylamines
Alternative Parents
Organopnictogen compounds / Hydrocarbon derivatives
Substituents
Aliphatic acyclic compound / Hydrocarbon derivative / Organopnictogen compound / Primary aliphatic amine
Molecular Framework
Aliphatic acyclic compounds
External Descriptors
alkane-alpha,omega-diamine (CHEBI:30347) / an amine (CPD-3682)
Affected organisms
Not Available

Chemical Identifiers

UNII
60V9STC53F
CAS number
107-15-3
InChI Key
PIICEJLVQHRZGT-UHFFFAOYSA-N
InChI
InChI=1S/C2H8N2/c3-1-2-4/h1-4H2
IUPAC Name
ethane-1,2-diamine
SMILES
NCCN

References

General References
  1. Zuidema J: Ethylenediamine, profile of a sensitizing excipient. Pharm Weekbl Sci. 1985 Aug 23;7(4):134-40. [Article]
Human Metabolome Database
HMDB0031225
KEGG Drug
D01114
ChemSpider
13835550
BindingDB
7972
RxNav
4158
ChEBI
30347
ChEMBL
CHEMBL816
ZINC
ZINC000037253587
PDBe Ligand
EDN
Wikipedia
Ethylenediamine
PDB Entries
2xy5 / 3x00 / 4xyy / 5xf6 / 7axp / 7axq / 7axs / 7axx

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
FormRouteStrength
KitCutaneous
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility560.0 mg/mLALOGPS
logP-1.8ALOGPS
logP-1.4Chemaxon
logS0.97ALOGPS
pKa (Strongest Basic)9.69Chemaxon
Physiological Charge2Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area52.04 Å2Chemaxon
Rotatable Bond Count1Chemaxon
Refractivity17.87 m3·mol-1Chemaxon
Polarizability7.08 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-MSsplash10-001i-9000000000-be1b3bae0b04dd47d3f2
GC-MS Spectrum - EI-BGC-MSsplash10-001i-9000000000-7161cac69670b52ad6d8
Mass Spectrum (Electron Ionization)MSsplash10-0udi-9000000000-eea8b0eac54fc00ef1d7
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0006-9000000000-ee898544da419913b2be
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0006-9000000000-ee898544da419913b2be
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-9000000000-a8dd51e1fcbf3413905b
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0006-9000000000-c822e3dc7c3672ff51de
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-9000000000-e02fbe1f95b9a7d478a7
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-9000000000-0a9a444c65bf00f6671d
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0006-9000000000-ee898544da419913b2be
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0006-9000000000-ee898544da419913b2be
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-9000000000-a8dd51e1fcbf3413905b
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0006-9000000000-c822e3dc7c3672ff51de
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-9000000000-e02fbe1f95b9a7d478a7
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-9000000000-0a9a444c65bf00f6671d
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]-97.6594177
predicted
DarkChem Lite v0.1.0
[M-H]-97.7689177
predicted
DarkChem Lite v0.1.0
[M-H]-114.54812
predicted
DeepCCS 1.0 (2019)
[M-H]-97.6594177
predicted
DarkChem Lite v0.1.0
[M-H]-97.7689177
predicted
DarkChem Lite v0.1.0
[M-H]-114.54812
predicted
DeepCCS 1.0 (2019)
[M+H]+99.0196177
predicted
DarkChem Lite v0.1.0
[M+H]+98.8225177
predicted
DarkChem Lite v0.1.0
[M+H]+116.44353
predicted
DeepCCS 1.0 (2019)
[M+H]+99.0196177
predicted
DarkChem Lite v0.1.0
[M+H]+98.8225177
predicted
DarkChem Lite v0.1.0
[M+H]+116.44353
predicted
DeepCCS 1.0 (2019)
[M+Na]+98.0200177
predicted
DarkChem Lite v0.1.0
[M+Na]+98.0715177
predicted
DarkChem Lite v0.1.0
[M+Na]+124.433235
predicted
DeepCCS 1.0 (2019)
[M+Na]+98.0200177
predicted
DarkChem Lite v0.1.0
[M+Na]+98.0715177
predicted
DarkChem Lite v0.1.0
[M+Na]+124.433235
predicted
DeepCCS 1.0 (2019)

Drug created at July 03, 2018 20:36 / Updated at February 21, 2021 18:54