BISOCTRIZOLE

/static/temp/default.svg

Search structure


Synonyms	Bisoctrizole FAT 75'634 FAT-75634 MBBT NSC-759873 Tinosorb m
Status
Molecule Category	Free-form
UNII	8NT850T0YS
EPA CompTox	DTXSID2046703

Structure


InChI Key	FQUNFJULCYSSOP-UHFFFAOYSA-N
Smiles	CC(C)(C)CC(C)(C)c1cc(Cc2cc(C(C)(C)CC(C)(C)C)cc(-n3nc4ccccc4n3)c2O)c(O)c(-n2nc3ccccc3n2)c1
InChI	InChI=1S/C41H50N6O2/c1-38(2,3)24-40(7,8)28-20-26(36(48)34(22-28)46-42-30-15-11-12-16-31(30)43-46)19-27-21-29(41(9,10)25-39(4,5)6)23-35(37(27)49)47-44-32-17-13-14-18-33(32)45-47/h11-18,20-23,48-49H,19,24-25H2,1-10H3

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C41H50N6O2
Molecular Weight	658.89
AlogP	9.58
Hydrogen Bond Acceptor	8.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	8.0
Polar Surface Area	101.88
Molecular species	NEUTRAL
Aromatic Rings	6.0
Heavy Atoms	49.0

Pharmacology

Mechanism of Action	Action	Reference
Sunscreen	None	DailyMed

Cross References

Resources	Reference
ChEBI	135865
ChEMBL	CHEMBL2104957
DrugBank	DB11262
DrugCentral	3031
FDA SRS	8NT850T0YS
PubChem	3571576
SureChEMBL	SCHEMBL39191
ZINC	ZINC000011677911

CONTENTS

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