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25C-NBOH (hydrochloride)

CAT: 0804-HY-121920-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-121920-01Size:1 mg
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Description
25C-NBOH hydrochloride is a derivative of 2C-C having an N- (2-hydroxybenzyl) addition at the amine and is a potent agonist of 5-HT receptors that shows selectivity for 5-HT2A over 5-HT2C (EC50s = ~ 0.40 and 15 nM, respectively) [1].
CAS Number
1539266-20-0
UNSPSC
12352005
Target
5-HT Receptor
Related Pathways
GPCR/G Protein; Neuronal Signaling
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Smiles
ClC1=CC(OC)=C(C=C1OC)CCNCC2=C(C=CC=C2)O.Cl
Molecular Formula
C17H21Cl2NO3
Molecular Weight
358.26
References & Citations
[1]Hansen M, et al. Synthesis and structure-activity relationships of N-benzyl phenethylamines as 5-HT2A/2C agonists. ACS Chem Neurosci. 2014 Mar 19;5 (3) :243-9.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
Phase 2
Isoform
5-HT2 Receptor

Chemical Information

25C-NBOH (hydrochloride)

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CAS Number1539266-20-0
PubChem CID137699641
IUPAC Name2-[[2-(4-chloro-2,5-dimethoxyphenyl)ethylamino]methyl]phenol;hydrochloride
Molecular FormulaC17H21Cl2NO3
Molecular Weight358.3
Topological Polar Surface Area50.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count23
Formal Charge0
Complexity318
SMILES
COC1=CC(=C(C=C1CCNCC2=CC=CC=C2O)OC)Cl.Cl
InChI
InChI=1S/C17H20ClNO3.ClH/c1-21-16-10-14(18)17(22-2)9-12(16)7-8-19-11-13-5-3-4-6-15(13)20;/h3-6,9-10,19-20H,7-8,11H2,1-2H3;1H
InChIKey
AGSWPCDXODCJBI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 25C-NBOH (hydrochloride)
CAS: 1539266-20-0
CID: 137699641
Formula: C17H21Cl2NO3
MW: 358.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight358.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass357.0898489
Monoisotopic Mass357.0898489
Topological Polar Surface Area50.7 Ų
Heavy Atom Count23
Formal Charge0
Complexity318
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

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