EcoDrugPlus


Synonyms	[18F]-Fluoromisonidazole [18f]fluoromisonidazole
Status
Molecule Category	UNKNOWN
UNII	8MSY49469G

Synonyms

[18F]-Fluoromisonidazole

[18f]fluoromisonidazole

Status

Molecule Category

UNKNOWN

UNII

8MSY49469G


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


InChI Key	HIIJZYSUEJYLMX-JZRMKITLSA-N
Smiles	O=[N+]([O-])c1nccn1CC(O)C[18F]
InChI	InChI=1S/C6H8FN3O3/c7-3-5(11)4-9-2-1-8-6(9)10(12)13/h1-2,5,11H,3-4H2/i7-1

InChI Key

HIIJZYSUEJYLMX-JZRMKITLSA-N

Smiles

O=[N+]([O-])c1nccn1CC(O)C[18F]

InChI

InChI=1S/C6H8FN3O3/c7-3-5(11)4-9-2-1-8-6(9)10(12)13/h1-2,5,11H,3-4H2/i7-1

Property Name	Value
Molecular Formula	C6H8FN3O3
Molecular Weight	188.15
AlogP	0.12
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	4.0
Polar Surface Area	81.19
Molecular species	NEUTRAL
Aromatic Rings	1.0
Heavy Atoms	13.0

Property Name

Value

Molecular Formula

C6H8FN3O3

Molecular Weight

188.15

AlogP

0.12

Hydrogen Bond Acceptor

5.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

4.0

Polar Surface Area

81.19

Molecular species

NEUTRAL

Aromatic Rings

1.0

Heavy Atoms

13.0

Resources	Reference
ChEMBL	CHEMBL2037002
DrugBank	DB14830
FDA SRS	8MSY49469G
SureChEMBL	SCHEMBL13020421

Resources

Reference

ChEMBL

DrugBank

FDA SRS

SureChEMBL


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).

[18F]FLUOROMISONIDAZOLE

Structure

Physicochemical Descriptors

Related Entries

Cross References