PADIMATE O


Synonyms	Arlatone uvb Escalol 507 Ethylhexyl dimethyl paba Eusolex 6007 Octyl dimethyl paba Padimate o Padimate-o Pamimate o Spectraban 25 Spectraban 4 Spectraban ultra Uvasorb dmo
Status
Molecule Category	Free-form
UNII	Z11006CMUZ
EPA CompTox	DTXSID7029320


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

Structure


InChI Key	WYWZRNAHINYAEF-UHFFFAOYSA-N
Smiles	CCCCC(CC)COC(=O)c1ccc(N(C)C)cc1
InChI	InChI=1S/C17H27NO2/c1-5-7-8-14(6-2)13-20-17(19)15-9-11-16(12-10-15)18(3)4/h9-12,14H,5-8,13H2,1-4H3

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C17H27NO2
Molecular Weight	277.41
AlogP	4.13
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	0.0
Number of Rotational Bond	8.0
Polar Surface Area	29.54
Molecular species	NEUTRAL
Aromatic Rings	1.0
Heavy Atoms	20.0

Cross References

Resources	Reference
ChEBI	135932
ChEMBL	CHEMBL1323699
DrugBank	DB11570
DrugCentral	4270
FDA SRS	Z11006CMUZ
PubChem	30541
SureChEMBL	SCHEMBL15432

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).