OCTINOXATE


Synonyms	2-ethylhexyl p-methoxycinnamate 2-ethylhexyl-p-methoxycinnamate Escalol 557 Escalol 557nb Escalol 557t Ethylhexyl methoxycinnamate Ethylhexyl p-methoxycinnamate Eusolex 2292 Eusolex uv-pearls omc Jeescreen omc NSC-26466 Neo heliopan av Ocinoxate Octinoxate Octyl methoxycinnamate Octyl p-methoxycinnamate Parsol Parsol mcx Parsol mcx-sa Parsol mox Solarom omc Sun caps 664 Sunscreen av Tinosorb omc Uvinul 3088 Uvinul mc 80 Uvinul mc 80n Uvinul mc 90 Uvinul mc80
Status
Molecule Category	UNKNOWN
ATC	D02BA02
UNII	4Y5P7MUD51
EPA CompTox	DTXSID1025302


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70

Structure


InChI Key	YBGZDTIWKVFICR-UHFFFAOYSA-N
Smiles	CCCCC(CC)COC(=O)C=Cc1ccc(OC)cc1
InChI	InChI=1S/C18H26O3/c1-4-6-7-15(5-2)14-21-18(19)13-10-16-8-11-17(20-3)12-9-16/h8-13,15H,4-7,14H2,1-3H3

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C18H26O3
Molecular Weight	290.4
AlogP	4.47
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	0.0
Number of Rotational Bond	9.0
Polar Surface Area	35.53
Molecular species	NEUTRAL
Aromatic Rings	1.0
Heavy Atoms	21.0

Related Entries

Cross References

Resources	Reference
ChEBI	134750
ChEMBL	CHEMBL3183184
DrugCentral	4236
FDA SRS	4Y5P7MUD51
PubChem	5355130

CONTENTS


PREMIER has received funding from the 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 this manuscript contains. Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

PREMIER has received funding from the 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 this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).