Octyl triazone

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

Identification

Generic Name
Octyl triazone
DrugBank Accession Number
DB15469
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
Weight
Average: 823.092
Monoisotopic: 822.504383869
Chemical Formula
C48H66N6O6
Synonyms
Not Available

Pharmacology

Indication

Not Available

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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.
Not Available
Food Interactions
Not Available

Products

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International/Other Brands
Uvasorb ET / Uvinul T 150
Mixture Products
NameIngredientsDosageRouteLabellerMarketing StartMarketing EndRegionImage
BRING GREEN Tea Tree CICA Cooling SunOctyl triazone (3.0 g/100g) + Bemotrizinol (1.5 g/100g) + Diethylamino hydroxybenzoyl hexyl benzoate (3.5 g/100g) + Polysilicone-15 (2.0 g/100g)StickTopicalCJ Olive Young Corporation2022-08-01Not applicableUS flag
Calming Days Vegan SunscreenOctyl triazone (2.4 g/100mL) + Bisoctrizole (2 g/100mL) + Diethylamino hydroxybenzoyl hexyl benzoate (3 g/100mL) + Iscotrizinol (1.2 g/100mL)GelTopicalMerci Co.2022-10-18Not applicableUS flag
Carecella Sun CreamOctyl triazone (4.5 g/100mL) + Amiloxate (7.49 g/100mL)CreamTopicalGeneral Bio Co., Ltd.2023-07-19Not applicableUS flag
CC Cream SPF 50Octyl triazone (0.26 mg/5000mg) + Diethylamino hydroxybenzoyl hexyl benzoate (2.6 mg/5000mg) + Titanium dioxide (0.83 mg/5000mg)CreamCutaneous; TopicalFRIDDA DORSCH SL2021-04-07Not applicableUS flag
Celgen Mild SunOctyl triazone (1.5 g/100g) + Avobenzone (0.9 g/100g) + Bemotrizinol (4 g/100g) + Octinoxate (6.5 g/100g) + Octisalate (4.5 g/100g) + Titanium dioxide (2.125 g/100g)CreamTopicalBBHC CO., LTD2020-09-03Not applicableUS flag
Unapproved/Other Products
NameIngredientsDosageRouteLabellerMarketing StartMarketing EndRegionImage
BRING GREEN Tea Tree CICA Cooling SunOctyl triazone (3.0 g/100g) + Bemotrizinol (1.5 g/100g) + Diethylamino hydroxybenzoyl hexyl benzoate (3.5 g/100g) + Polysilicone-15 (2.0 g/100g)StickTopicalCJ Olive Young Corporation2022-08-01Not applicableUS flag
Calming Days Vegan SunscreenOctyl triazone (2.4 g/100mL) + Bisoctrizole (2 g/100mL) + Diethylamino hydroxybenzoyl hexyl benzoate (3 g/100mL) + Iscotrizinol (1.2 g/100mL)GelTopicalMerci Co.2022-10-18Not applicableUS flag
Carecella Sun CreamOctyl triazone (4.5 g/100mL) + Amiloxate (7.49 g/100mL)CreamTopicalGeneral Bio Co., Ltd.2023-07-19Not applicableUS flag
EXODERMA Silky Sun CreamOctyl triazone (3.5 g/100g) + Adenosine (0.04 g/100g) + Homosalate (8 g/100g) + Nicotinamide (2 g/100g) + Titanium dioxide (2 g/100g)CreamTopicalThe Classeum Co., Ltd2022-12-182023-12-17US flag
Hydro Multi-shieldOctyl triazone (2 g/100mL) + Adenosine (0.04 g/100mL) + Diethylamino hydroxybenzoyl hexyl benzoate (3 g/100mL) + Nicotinamide (2 g/100mL)CreamTopicalNatuzen Co., Ltd2019-12-06Not applicableUS flag

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Benzoic acids and derivatives
Direct Parent
Benzoic acid esters
Alternative Parents
Tricarboxylic acids and derivatives / Benzoyl derivatives / Aniline and substituted anilines / Aminotriazines / 1,3,5-triazines / Heteroaromatic compounds / Carboxylic acid esters / Amino acids and derivatives / Secondary amines / Azacyclic compounds
show 4 more
Substituents
1,3,5-triazine / Amine / Amino acid or derivatives / Amino-1,3,5-triazine / Aminotriazine / Aniline or substituted anilines / Aromatic heteromonocyclic compound / Azacycle / Benzoate ester / Benzoyl
show 14 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
XQN8R9SAK4
CAS number
88122-99-0
InChI Key
JGUMTYWKIBJSTN-UHFFFAOYSA-N
InChI
InChI=1S/C48H66N6O6/c1-7-13-16-34(10-4)31-58-43(55)37-19-25-40(26-20-37)49-46-52-47(50-41-27-21-38(22-28-41)44(56)59-32-35(11-5)17-14-8-2)54-48(53-46)51-42-29-23-39(24-30-42)45(57)60-33-36(12-6)18-15-9-3/h19-30,34-36H,7-18,31-33H2,1-6H3,(H3,49,50,51,52,53,54)
IUPAC Name
2-ethylhexyl 4-({4,6-bis[(4-{[(2-ethylhexyl)oxy]carbonyl}phenyl)amino]-1,3,5-triazin-2-yl}amino)benzoate
SMILES
[H]N(C1=CC=C(C=C1)C(=O)OCC(CC)CCCC)C1=NC(=NC(=N1)N([H])C1=CC=C(C=C1)C(=O)OCC(CC)CCCC)N([H])C1=CC=C(C=C1)C(=O)OCC(CC)CCCC

References

General References
Not Available
ChemSpider
140022
RxNav
1314657
Wikipedia
Ethylhexyl_triazone

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
Not AvailableCompletedDiagnosticDermatitis, Photocontact1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
FormRouteStrength
CreamTopical
LotionTopical
GelTopical
CreamCutaneous; Topical
StickTopical
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.00016 mg/mLALOGPS
logP9.02ALOGPS
logP15.29Chemaxon
logS-6.7ALOGPS
pKa (Strongest Acidic)11.26Chemaxon
pKa (Strongest Basic)3.66Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count9Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area153.66 Å2Chemaxon
Rotatable Bond Count30Chemaxon
Refractivity240.34 m3·mol-1Chemaxon
Polarizability97.67 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
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/MSsplash10-00ei-9400004340-6a9ea2e6599bc5686166
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-0190000020-6ef1ee413c63a303ae90
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0159-2000094300-fca789c68a918b19997a
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-08nd-5900013510-c47352bd9f46b09cd25c
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0301-9800053500-d88c6e2da9c8bb77729a
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0apm-0120049410-a8d3daedded5604ada51
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at August 13, 2019 21:18 / Updated at June 12, 2020 16:53