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25B-NBF hydrochloride

CAT: 0931-T204678-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T204678-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1539266-17-5
Target
5-HT Receptor
Related Pathways
Neuroscience, GPCR/G Protein
Bioactivity
25B-NBF hydrochloride is a potent agonist of the 5-HT2C receptor, showing binding affinity to the human 5-HT2A receptor and the rat 5-HT2C receptor, with pKi values of 8.57 and 7.73, respectively.
Smiles
Cl.FC=1C=CC=CC1CNCCC2=CC(OC)=C(Br)C=C2OC
Molecular Formula
C17H20BrClFNO2
Molecular Weight
404.702
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

25B-Nbf
CAS Number1539266-17-5
PubChem CID125181239
IUPAC Name2-(4-bromo-2,5-dimethoxyphenyl)-N-[(2-fluorophenyl)methyl]ethanamine
Molecular FormulaC17H19BrFNO2
Molecular Weight368.2
XLogP4
Topological Polar Surface Area30.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count22
Formal Charge0
Complexity321
SMILES
COC1=CC(=C(C=C1CCNCC2=CC=CC=C2F)OC)Br
InChI
InChI=1S/C17H19BrFNO2/c1-21-16-10-14(18)17(22-2)9-12(16)7-8-20-11-13-5-3-4-6-15(13)19/h3-6,9-10,20H,7-8,11H2,1-2H3
InChIKey
ATMBBMXJNIJRST-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 25B-Nbf
CAS: 1539266-17-5
CID: 125181239
Formula: C17H19BrFNO2
MW: 368.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight368.2
XLogP34
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass367.05832
Monoisotopic Mass367.05832
Topological Polar Surface Area30.5 Ų
Heavy Atom Count22
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 Count1
Compound Is CanonicalizedYes

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