Structure

InChI Key PAXWQORCRCBOCU-RPDRGXCHSA-N
Smile N[C@@H](Cc1cc(O)c(O)cc1[18F])C(=O)O
InChI
InChI=1S/C9H10FNO4/c10-5-3-8(13)7(12)2-4(5)1-6(11)9(14)15/h2-3,6,12-13H,1,11H2,(H,14,15)/t6-/m0/s1/i10-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H10FNO4
Molecular Weight 214.18
AlogP 0.19
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 3.0
Polar Surface Area 103.78
Molecular species ZWITTERION
Aromatic Rings 1.0
Heavy Atoms 15.0

Pharmacology

Action Mechanism of Action Reference
None Diagnostic agent DailyMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Pheochromocytoma 2 D010673 ClinicalTrials
Glioblastoma 2 D005909 ClinicalTrials
Glioma 2 D005910 ClinicalTrials

Cross References

Resources Reference
ChEBI 49166
ChEMBL CHEMBL3400972
DrugBank DB13848
DrugCentral 4550
EPA CompTox DTXSID60239157
FDA SRS 2C598205QX
SureChEMBL SCHEMBL522323
ZINC ZINC000100079068