ETOCRYLENE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C18H15NO2
Molecular Weight	277.3172
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCOC(=O)C(C#N)=C(C1=CC=CC=C1)C2=CC=CC=C2

InChI

InChIKey=IAJNXBNRYMEYAZ-UHFFFAOYSA-N

InChI=1S/C18H15NO2/c1-2-21-18(20)16(13-19)17(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,2H2,1H3

HIDE SMILES / InChI

Molecular Formula	C18H15NO2
Molecular Weight	277.3172
Charge	0
Count

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

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/16079615
Curator's Comment: The description was created based on several sources, including https://toxnet.nlm.nih.gov/cgi-bin/sis/search/a?dbs+hsdb:@term+@DOCNO+7218

Etocrylene is an organic ester that appears as an off-white crystalline powder and functions as a UV absorber. When applied to the skin, this product absorbs UV rays. It can also be used to protect cosmetics and personal care products from deterioration. This product can be used in the formulation of sun protection products, as well as bath, skin, cleansing, hair, nail and fragrance products.

Originator

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Estrogen receptor 75 Target ID: CHEMBL2093866 Sources: https://www.ncbi.nlm.nih.gov/pubmed/16079615	Agonist 2678

Conditions

Condition	Modality	Targets	Highest Phase	Product
Unknown 2578

PubMed

Title	Date	PubMed
[Estrogenic activity of ultraviolet absorbers and the related compounds].	2005 Aug	16079615

Patents

Sample Use Guides

In Vivo Use Guide

LD50 Mouse ip 100 mg/kg

Route of Administration: Intraperitoneal

In Vitro Use Guide

MCF-7 human breast cancer cells were used for activity evaluation. Cells were treated with Etocrylene (0.1-10000mkM)

Substance Class	Chemical Created by `admin` on `Sat Dec 16 05:00:24 GMT 2023` Edited by `admin` on `Sat Dec 16 05:00:24 GMT 2023`
Record UNII	974109G71I
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ETOCRYLENE

Official Name

English

ETOCRYLENE [HSDB]

Common Name

English

ETOCRILENE

Official Name

English

etocrilene [INN]

Common Name

English

ETOCRYLENE [USAN]

Common Name

English

NSC-52678

Code

English

2-PROPENOIC ACID, 2-CYANO-3,3-DIPHENYL-, ETHYL ESTER

Common Name

English

ETOCRYLENE [INCI]

Common Name

English

Ethyl 2-cyano-3,3-diphenylacrylate

Systematic Name

English

Classification Tree Code System Code

Food Contact Sustance Notif, (FCN No.)

FCN NO. 212