AVOBENZONE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C20H22O3
Molecular Weight	310.3869
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

SMILES

COC1=CC=C(C=C1)C(=O)CC(=O)C2=CC=C(C=C2)C(C)(C)C

InChI

InChIKey=XNEFYCZVKIDDMS-UHFFFAOYSA-N

InChI=1S/C20H22O3/c1-20(2,3)16-9-5-14(6-10-16)18(21)13-19(22)15-7-11-17(23-4)12-8-15/h5-12H,13H2,1-4H3

HIDE SMILES / InChI

Molecular Formula	C20H22O3
Molecular Weight	310.3869
Charge	0
Count	MOL RATIO 1 MOL RATIO (average)

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Description

Avobenzone is an oil soluble ingredient used in sunscreen products to absorb the full spectrum of UVA rays. It helps prevent sunburn. Avobenzone works by absorbing the rays and converting them to energy that is less damaging to the skin.

Originator

Approval Year

Conditions

Conditions

Condition	Modality	Targets	Highest Phase	Product
Sunburn 84	Preventing		Approved 8,429	SHADE UVAGUARD

C_max

Value	Dose	Co-administered	Analyte	Population
1.5 ng/mL	0.81 g 4 times / day multiple, topical		AVOBENZONE plasma	Homo sapiens
3.1 ng/mL	0.81 g 4 times / day steady-state, topical		AVOBENZONE plasma	Homo sapiens

T_1/2

Value	Dose	Co-administered	Analyte	Population
45.2 h	0.81 g 4 times / day steady-state, topical		AVOBENZONE plasma	Homo sapiens

Doses

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Dose	Population	Adverse events
3.7 g 1.3 times / day multiple, topical (median) Recommended	healthy, 3.69 years (range: 0.64-48.15 years) n = 79	Other AEs: Dermatitis, Eczema...
1.6 g 1.1 times / day multiple, topical (median) Recommended	healthy, 35.44 years (range: 12.04-83.43 years) n = 248	Other AEs: Acne, Dermatitis...
3.1 g 1.2 times / day multiple, topical (median) Recommended	healthy, 6.69 years (range: 0.5-67.95 years) n = 246	Other AEs: Dermatitis, Eczema...

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AEs

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AE	Significance	Dose	Population
Eczema	1.3%	3.7 g 1.3 times / day multiple, topical (median) Recommended	healthy, 3.69 years (range: 0.64-48.15 years) n = 79
Dermatitis	2.5%	3.7 g 1.3 times / day multiple, topical (median) Recommended	healthy, 3.69 years (range: 0.64-48.15 years) n = 79
Rosacea	0.4%	1.6 g 1.1 times / day multiple, topical (median) Recommended	healthy, 35.44 years (range: 12.04-83.43 years) n = 248
Taste perversion	0.4%	1.6 g 1.1 times / day multiple, topical (median) Recommended	healthy, 35.44 years (range: 12.04-83.43 years) n = 248
Conjunctivitis	0.8%	1.6 g 1.1 times / day multiple, topical (median) Recommended	healthy, 35.44 years (range: 12.04-83.43 years) n = 248

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Overview

CYP3A4	CYP2C9	CYP2D6	hERG
inhibitor 1,587	inhibitor 1,767	inhibitor 1,852

OverviewOther

Other Inhibitor	Other Substrate	Other Inducer

Drug as perpetrator

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Target	Modality	Activity
CYP2C9 1,819	inhibitor 3,277	no
CYP2D6 1,891	inhibitor 3,277	no
CYP3A4 1,925	inhibitor 3,277	no

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Sourcing

Sourcing

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Vendor/Aggregator	ID	URL
3B Scientific (Wuhan) Corp	3B5-01495	http://www.3bsc.com/index/pro_info.php?id=69114
AA Blocks	AA00342H	http://www.aablocks.com/goods/Goods/detail?id=AA00342H
AK Scientific, Inc. (AKSCI)	71158	http://www.aksci.com/item_detail.php?cat=71158
Aaron Chemicals	AR0034U9	http://www.aaronchem.com/70356-09-1
AbMole Bioscience	M5434	http://www.abmole.com/products/avobenzone.html

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PubMed

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Title	Date	PubMed
Photochemical behavior of a new long-chain UV absorber derived from 4-tert-butyl-4'-methoxydibenzoylmethane.	2004 Sep-Oct	15362951
Sunscreen penetration of human skin and related keratinocyte toxicity after topical application.	2005 Jul-Aug	15908756
Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods.	2006 Nov	16497524
The FDA approves new over-the-counter sunscreen.	2006 Sep-Oct	17326301
Optical and electron paramagnetic resonance studies of the excited states of 4-tert-butyl-4'-methoxydibenzoylmethane and 4-tert-butyl-4'-methoxydibenzoylpropane.	2009 Dec 3	19886613

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Patents

Sample Use Guides

In Vivo Use Guide

apply liberally 15 min before sun exposure. reapply as needed or after towel drying, 40 min of swimming, or perspiring.

Route of Administration: Topical

In Vitro Use Guide

Avobenzone 2% and ethyl ascorbic acid2% represented the best photostability with avobenzone concentrations decrease by 11,82% for 15 hour using UVA lamp irradiation 4,7 mW/cm2.

Substance Class	Chemical
Record UNII	G63QQF2NOX
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

AVOBENZONE

Official Name

English

NEOHELIOPAN 357

Brand Name

English

AVOBENZONE [USP-RS]

Common Name

English

Avobenzone [WHO-DD]

Common Name

English

NSC-758680

Code

English

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Classification Tree

Code System

Code

Designated

FDA ORPHAN DRUG

142401

Chemopreventive Agent

NCI_THESAURUS

C851

Subpart B--Active Ingredients

CFR

21 CFR 352.10

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Code System

Code

Type

Description

EVMPD

SUB05617MIG

PRIMARY

RXCUI

45045

PRIMARY

RxNorm

USAN

AA-89

PRIMARY

WIKIPEDIA

AVOBENZONE

PRIMARY

INN

6480

PRIMARY

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Related Record

Type

Details


					G63QQF2NOX

AVOBENZONE

ACTIVE MOIETY

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SMILES

InChI

Originator

Approval Year

Conditions

Cmax

T1/2

Doses

AEs

Overview

OverviewOther

Drug as perpetrator​

Sourcing

PubMed

Patents

Sample Use Guides

C_max

T_1/2

Drug as perpetrator