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25I-NBF hydrochloride

CAT: 0931-T204494-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T204494-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1539266-13-1
Target
5-HT Receptor
Related Pathways
GPCR/G Protein, Neuroscience
Bioactivity
25I-NBF hydrochloride is a potent partial agonist of the 5-HT2A receptor, exhibiting a Ki value of 0.26 nM and an EC50 value of 1.6 nM.
Smiles
Cl.FC=1C=CC=CC1CNCCC2=CC(OC)=C(I)C=C2OC
Molecular Formula
C17H20ClFINO2
Molecular Weight
451.702
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

25I-NBF (hydrochloride)
CAS Number1539266-13-1
PubChem CID131667843
IUPAC NameN-[(2-fluorophenyl)methyl]-2-(4-iodo-2,5-dimethoxyphenyl)ethanamine;hydrochloride
Molecular FormulaC17H20ClFINO2
Molecular Weight451.7
Topological Polar Surface Area30.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count23
Formal Charge0
Complexity321
SMILES
COC1=CC(=C(C=C1CCNCC2=CC=CC=C2F)OC)I.Cl
InChI
InChI=1S/C17H19FINO2.ClH/c1-21-16-10-15(19)17(22-2)9-12(16)7-8-20-11-13-5-3-4-6-14(13)18;/h3-6,9-10,20H,7-8,11H2,1-2H3;1H
InChIKey
GHAILJKILCIMFT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 25I-NBF (hydrochloride)
CAS: 1539266-13-1
CID: 131667843
Formula: C17H20ClFINO2
MW: 451.7
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight451.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass451.02113
Monoisotopic Mass451.02113
Topological Polar Surface Area30.5 Ų
Heavy Atom Count23
Formal Charge0
Complexity321
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes