NAV

Quaternium-15

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

Identification

Generic Name
Quaternium-15
DrugBank Accession Number
DB14198
Background

Quaternium-15 is a quaternary ammonium salt used as a surfactant and preservative in many products including cosmetics. It is an anti-microbial agent by virtue of being a formaldehyde releaser, however this can also cause contact dermatitis, a symptom of an allergic reaction, especially in those with sensitive skin. In 2005, Quaternium-15 was named in the top 15 most frequently positive allergens identified in patch tests by the North American Contact Dermatitis Group (NACDG)2.

Sensitivity to Quaternium-15 may be identified with a clinical patch test.

Type
Small Molecule
Groups
Approved, Experimental
Structure
Similar Structures
Weight
Average: 251.156
Monoisotopic: 250.075201946
Chemical Formula
C9H16Cl2N4
Synonyms
  • 1-(3-Chloroallyl)-3,5,7-triaza-1-azoniaadamantane chloride
  • 3,5,7-Triaza-1-azoniaadamantane, 1-(3-chloroallyl)-, chloride
  • 3,5,7-Triaza-1-azoniatricyclo(3.3.1.13,7)decane, 1-(3-chloro-2-propen-1-yl)-, chloride (1:1)
  • Methenamine 3-chloroallylochloride
  • N-(3-Chloroallyl)hexaminium chloride
  • Quaternium 15
External IDs
  • XD-1840
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Pharmacology

Indication

Quaternium-15 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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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
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Interactions

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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 TestQuaternium-15 (81 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) + Ethylenediamine (18 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) + 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 1,3,5-triazinanes. These are triazinanes having three nitrogen ring atoms at the 1-, 3-, and 5- positions.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Triazinanes
Sub Class
1,3,5-triazinanes
Direct Parent
1,3,5-triazinanes
Alternative Parents
Tetraalkylammonium salts / Vinyl chlorides / Chloroalkenes / Azacyclic compounds / Aminals / Organopnictogen compounds / Organochlorides / Organic chloride salts / Hydrocarbon derivatives
Substituents
1,3,5-triazinane / Aliphatic heteropolycyclic compound / Aminal / Azacycle / Chloroalkene / Haloalkene / Hydrocarbon derivative / Organic chloride salt / Organic nitrogen compound / Organic salt
Molecular Framework
Aliphatic heteropolycyclic compounds
External Descriptors
quaternary ammonium salt, organochlorine compound (CHEBI:59607)
Affected organisms
Not Available

Chemical Identifiers

UNII
E40U03LEM0
CAS number
4080-31-3
InChI Key
UKHVLWKBNNSRRR-UHFFFAOYSA-M
InChI
InChI=1S/C9H16ClN4.ClH/c10-2-1-3-14-7-11-4-12(8-14)6-13(5-11)9-14;/h1-2H,3-9H2;1H/q+1;/p-1
IUPAC Name
1-(3-chloroprop-2-en-1-yl)-1,3,5,7-tetraazatricyclo[3.3.1.1^{3,7}]decan-1-ium chloride
SMILES
[Cl-].[H]C(Cl)=C([H])C[N+]12CN3CN(CN(C3)C1)C2

References

General References
  1. Cahill J, Nixon R: Allergic contact dermatitis to quaternium 15 in a moisturizing lotion. Australas J Dermatol. 2005 Nov;46(4):284-5. doi: 10.1111/j.1440-0960.2005.00210.x. [Article]
  2. Zug KA, Warshaw EM, Fowler JF Jr, Maibach HI, Belsito DL, Pratt MD, Sasseville D, Storrs FJ, Taylor JS, Mathias CG, Deleo VA, Rietschel RL, Marks J: Patch-test results of the North American Contact Dermatitis Group 2005-2006. Dermatitis. 2009 May-Jun;20(3):149-60. [Article]
ChemSpider
23621565
RxNav
283678
ChEBI
59607
Wikipedia
Quaternium-15

Clinical Trials

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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 Solubility39.7 mg/mLALOGPS
logP-2.7ALOGPS
logP-2.7Chemaxon
logS-0.8ALOGPS
pKa (Strongest Basic)3.7Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area9.72 Å2Chemaxon
Rotatable Bond Count2Chemaxon
Refractivity66.87 m3·mol-1Chemaxon
Polarizability21.78 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleYesChemaxon
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]-139.58705
predicted
DeepCCS 1.0 (2019)
[M+H]+141.94504
predicted
DeepCCS 1.0 (2019)
[M+Na]+148.62474
predicted
DeepCCS 1.0 (2019)

Drug created at July 03, 2018 22:25 / Updated at June 12, 2020 16:53