EcoDrugPlus


Synonyms	Ecamsule Ecamsule solution Mexoryl Mexoryl SX Mexoryl sx NSC-760054
Status
Molecule Category	Free-form
UNII	M94R1PM439
EPA CompTox	DTXSID80869056

Synonyms

Ecamsule

Ecamsule solution

Mexoryl

Mexoryl SX

Mexoryl sx

NSC-760054

Status

Molecule Category

Free-form

UNII

M94R1PM439

EPA CompTox

DTXSID80869056


InChI Key	HEAHZSUCFKFERC-UHFFFAOYSA-N
Smiles	CC1(C)C2CCC1(CS(=O)(=O)O)C(=O)C2=Cc1ccc(C=C2C(=O)C3(CS(=O)(=O)O)CCC2C3(C)C)cc1
InChI	InChI=1S/C28H34O8S2/c1-25(2)21-9-11-27(25,15-37(31,32)33)23(29)19(21)13-17-5-7-18(8-6-17)14-20-22-10-12-28(24(20)30,26(22,3)4)16-38(34,35)36/h5-8,13-14,21-22H,9-12,15-16H2,1-4H3,(H,31,32,33)(H,34,35,36)

InChI Key

HEAHZSUCFKFERC-UHFFFAOYSA-N

Smiles

CC1(C)C2CCC1(CS(=O)(=O)O)C(=O)C2=Cc1ccc(C=C2C(=O)C3(CS(=O)(=O)O)CCC2C3(C)C)cc1

InChI

InChI=1S/C28H34O8S2/c1-25(2)21-9-11-27(25,15-37(31,32)33)23(29)19(21)13-17-5-7-18(8-6-17)14-20-22-10-12-28(24(20)30,26(22,3)4)16-38(34,35)36/h5-8,13-14,21-22H,9-12,15-16H2,1-4H3,(H,31,32,33)(H,34,35,36)

Property Name	Value
Molecular Formula	C28H34O8S2
Molecular Weight	562.71
AlogP	4.24
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	6.0
Polar Surface Area	142.88
Molecular species	ACID
Aromatic Rings	1.0
Heavy Atoms	38.0

Property Name

Value

Molecular Formula

C28H34O8S2

Molecular Weight

562.71

AlogP

4.24

Hydrogen Bond Acceptor

6.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

6.0

Polar Surface Area

142.88

Molecular species

ACID

Aromatic Rings

1.0

Heavy Atoms

38.0

Mechanism of Action	Action	Reference
Sunscreen	None	DailyMed

Mechanism of Action

Action

Reference

Sunscreen

None

DailyMed

Resources	Reference
ChEBI	135830
ChEMBL	CHEMBL3989850
DrugBank	DB09534
DrugCentral	3171
FDA SRS	M94R1PM439
PubChem	146382

Resources

Reference

ChEBI

ChEMBL

DrugBank

DrugCentral

FDA SRS

PubChem

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

ECAMSULE

Structure

Physicochemical Descriptors

Pharmacology

Cross References