Details of the Active Pharmaceutical Ingredient (API)

General Information of API (ID: D01171)
Name
Ioflupane I-123
Synonyms    Click to Show/Hide the Synonyms of This API
ioflupane (123I); 123I-Ioflupane; IOFLUPANE I-123; DaTSCAN; IOFLUPANE I 123; 123I-FP-CIT; ioflupane I(123); ioflupane ((123)I); Ioflupane; UNII-3MM99T8R5Q; V09AB03; V-09AB03; Iodine ioflupane (123i); 3MM99T8R5Q; 155798-07-5; methyl (1R,2S,3S,5S)-8-(3-fluoropropyl)-3-[4-((123)I)iodophenyl]-8-azabicyclo[3.2.1]octane-2-carboxylate; Methyl 8-(3-fluoropropyl)-3beta-(p-iodo-I(sup 123)-phenyl)-1alphaH, 5alphaH-nortropane-2beta-carboxylate; 123I-beta-CIT-FP); Ioflupane I-123 and iodine; V 09AB03; Ioflupane I 123 [USAN:INN:BAN]; ioflupano (123I); ioflupanum (123I); Ioflupane ((sup 123)I); Ioflupane (123I) [INN]; GTPL7653; CHEMBL3989517; SCHEMBL16472968; CHEBI:68855; DTXSID90935291; DB08824; methyl (1S,3S,4S,5R)-8-(3-fluoropropyl)-3-(4-iodanylphenyl)-8-azabicyclo[3.2.1]octane-4-carboxylate; Q3801359; Methyl 8-(3-fluoropropyl)-3-[4-(~123~I)iodophenyl]-8-azabicyclo[3.2.1]octane-2-carboxylate; Methyl 8-(3-fluoropropyl)-3beta-(p-iodo-(sup 123)I-phenyl)-1alphaH,5alphaH-nortropane-2beta-carboxylate
Clinical Status
Approved
PubChem CID
3086674
Formula
C18H23FINO2
Canonical SMILES
COC(=O)[C@@H]1[C@H]2CC[C@H](N2CCCF)C[C@@H]1C3=CC=C(C=C3)[123I]
InChI
1S/C18H23FINO2/c1-23-18(22)17-15(12-3-5-13(20)6-4-12)11-14-7-8-16(17)21(14)10-2-9-19/h3-6,14-17H,2,7-11H2,1H3/t14-,15+,16+,17-/m0/s1/i20-4
InChIKey
HXWLAJVUJSVENX-HFIFKADTSA-N
   Click to Show/Hide the Molecular Data (Structure/Property) of This API
Structure
<iframe style="width: 300px; height: 300px;" frameborder="0" src="https://embed.molview.org/v1/?mode=balls&cid=3086674"></iframe>
3D MOL is unavailable 2D MOL
Physicochemical Properties Molecular Weight 427.3 Topological Polar Surface Area 29.5
XlogP 4 Complexity 414
Heavy Atom Count 23 Rotatable Bond Count 6
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 4
Full List of Drug Formulations (DFMs) Containing This API
          Ioflupane I-123 5mci/2.5ml solution Click to Show/Hide the Full List of Formulation(s):          1 Formulation(s)
             Drug Formulation 1 DFM Info click to show the detail info of this DFM
                   All DIGs    Click to Show/Hide the Full List of DIGs in This DFM
Acetic Acid; Sodium Acetate; Alcoho
                   Dosage Form Solution
                   Company Ge Hlthcare
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
Sodium acetate DIG Info Carbonic anhydrase I (Ki = 10800 nM) [1]
Acetic acid DIG Info Free fatty acid receptor 3 (EC50 = 12000 nM) [2]
References
1 Carbonic anhydrase inhibitors. Inhibition of the -class enzymes from the fungal pathogens Candida albicans and Cryptococcus neoformans with branched aliphatic/aromatic carboxylates and their derivatives. Bioorg Med Chem Lett. 2011 Apr 15; 21(8):2521-6.
2 Microbiota-Host Transgenomic Metabolism, Bioactive Molecules from the Inside. J Med Chem. 2018 Jan 11; 61(1):47-61.

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