EcoDrugPlus


Trade Names	PANTOPAQUE
Synonyms	Ethyl 10-(iodophenyl)undecanoate Iofendylate Iophendylate Jofendylate Pantopaque
Status
Molecule Category	Free-form
UNII	6V3I57K9UL
EPA CompTox	DTXSID2052869


InChI Key	LAYLQVBQIBQVLL-UHFFFAOYSA-N
Smiles	CCOC(=O)CCCCCCCCC(C)c1ccc(I)cc1
InChI	InChI=1S/C19H29IO2/c1-3-22-19(21)11-9-7-5-4-6-8-10-16(2)17-12-14-18(20)15-13-17/h12-16H,3-11H2,1-2H3

Property Name	Value
Molecular Formula	C19H29IO2
Molecular Weight	416.34
AlogP	6.08
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	11.0
Polar Surface Area	26.3
Heavy Atoms	22.0

Resources	Reference
ChEMBL	CHEMBL951
FDA SRS	6V3I57K9UL
SureChEMBL	SCHEMBL492663

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

IOPHENDYLATE

Structure

Physicochemical Descriptors

Related Entries

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