ECAMSULE

Search structure
Synonyms:
Status: Approved (2006)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: M94R1PM439

Structure
InChI Key HEAHZSUCFKFERC-UHFFFAOYSA-N
Smile 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)

Physicochemical Descriptors

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

Pharmacology

Action Mechanism of Action Reference
None Sunscreen DailyMed

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 135830
ChEMBL CHEMBL3989850
DrugBank DB09534
DrugCentral 3171
EPA CompTox DTXSID80869056
FDA SRS M94R1PM439
PubChem 146382
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