PROPYLIODONE


Trade Names	DIONOSIL AQUEOUS DIONOSIL OILY
Synonyms	A. G. 33-107 Dionosil Dionosil aqueous Dionosil oily NSC-97103 Propyliodone Propyliodonum
Status
Molecule Category	UNKNOWN
ATC	V08AD03
UNII	5NPJ6BPX36
EPA CompTox	DTXSID6023527


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

Structure


InChI Key	ROSXARVHJNYYDO-UHFFFAOYSA-N
Smiles	CCCOC(=O)Cn1cc(I)c(=O)c(I)c1
InChI	InChI=1S/C10H11I2NO3/c1-2-3-16-9(14)6-13-4-7(11)10(15)8(12)5-13/h4-5H,2-3,6H2,1H3

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C10H11I2NO3
Molecular Weight	447.01
AlogP	2.01
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	0.0
Number of Rotational Bond	4.0
Polar Surface Area	48.3
Molecular species	NEUTRAL
Aromatic Rings	1.0
Heavy Atoms	16.0

Cross References

Resources	Reference
ChEBI	32064
ChEMBL	CHEMBL1200821
DrugBank	DB09366
DrugCentral	2306
FDA SRS	5NPJ6BPX36
PubChem	4949
SureChEMBL	SCHEMBL38586
ZINC	ZINC000003831392

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).