ALTROPANE I-123

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Synonyms
Status
Molecule Category Free-form
UNII D20OLL8HWU
EPA CompTox DTXSID10174968

Structure

InChI Key GTQLIPQFXVKRKJ-HYRAKNMCSA-N
Smiles COC(=O)[C@H]1[C@@H](c2ccc(F)cc2)C[C@@H]2CC[C@H]1N2C/C=C/[123I]
InChI
InChI=1S/C18H21FINO2/c1-23-18(22)17-15(12-3-5-13(19)6-4-12)11-14-7-8-16(17)21(14)10-2-9-20/h2-6,9,14-17H,7-8,10-11H2,1H3/b9-2+/t14-,15+,16+,17-/m0/s1/i20-4

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H21FINO2
Molecular Weight 425.27
AlogP 3.88
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 4.0
Polar Surface Area 29.54
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 23.0

Pharmacology

Mechanism of Action Action Reference
Diagnostic agent None PubMed

Related Entries

Cross References

Resources Reference
ChEMBL CHEMBL4297407
DrugBank DB15144
FDA SRS D20OLL8HWU
PubChem 71587637
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