HEXYL SALICYLATE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C13H18O3
Molecular Weight	222.2802
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of HEXYL SALICYLATE

Structure Search

SMILES

CCCCCCOC(=O)C1=C(O)C=CC=C1

InChI

InChIKey=DUKPKQFHJQGTGU-UHFFFAOYSA-N

InChI=1S/C13H18O3/c1-2-3-4-7-10-16-13(15)11-8-5-6-9-12(11)14/h5-6,8-9,14H,2-4,7,10H2,1H3

HIDE SMILES / InChI

Molecular Formula	C13H18O3
Molecular Weight	222.2802
Charge	0
Count

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

Approval Year

PubMed

PubMed

Title	Date	PubMed
Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods.	2006 Nov	16497524

Substance Class	Chemical Created by `admin` on `Fri Dec 15 19:15:40 GMT 2023` Edited by `admin` on `Fri Dec 15 19:15:40 GMT 2023`
Record UNII	8F78EY72YL
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

HEXYL SALICYLATE

Official Name

English

HEXYL SALICYLATE [INCI]

Common Name

English

N-HEXYL SALICYLATE

Common Name

English

SALICYL ACID, N-HEXYL ESTER

Common Name

English

1-HEXYL SALICYLATE

Systematic Name

English

BENZOIC ACID, 2-HYDROXY-, HEXYL ESTER

Common Name

English

Code System Code Type Description

FDA UNII

8F78EY72YL

Created by admin on Fri Dec 15 19:15:40 GMT 2023 , Edited by admin on Fri Dec 15 19:15:40 GMT 2023

PRIMARY

EPA CompTox

DTXSID4038924

Created by admin on Fri Dec 15 19:15:40 GMT 2023 , Edited by admin on Fri Dec 15 19:15:40 GMT 2023

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MESH

C526485

Created by admin on Fri Dec 15 19:15:40 GMT 2023 , Edited by admin on Fri Dec 15 19:15:40 GMT 2023

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DAILYMED

8F78EY72YL

Created by admin on Fri Dec 15 19:15:40 GMT 2023 , Edited by admin on Fri Dec 15 19:15:40 GMT 2023

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CAS

6259-76-3

Created by admin on Fri Dec 15 19:15:40 GMT 2023 , Edited by admin on Fri Dec 15 19:15:40 GMT 2023

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ECHA (EC/EINECS)

228-408-6

Created by admin on Fri Dec 15 19:15:40 GMT 2023 , Edited by admin on Fri Dec 15 19:15:40 GMT 2023

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PUBCHEM

22629

Created by admin on Fri Dec 15 19:15:40 GMT 2023 , Edited by admin on Fri Dec 15 19:15:40 GMT 2023

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RXCUI

1421892

Created by admin on Fri Dec 15 19:15:40 GMT 2023 , Edited by admin on Fri Dec 15 19:15:40 GMT 2023

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RxNorm