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Dexnafenodone Hydrochloride

CAT: 0931-T27156-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T27156-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
94096-42-1
Target
Others, Adrenergic Receptor
Related Pathways
Neuroscience, Others, GPCR/G Protein
Bioactivity
Dexnafenodone Hydrochloride is an adrenergic receptor antagonist and serotonin uptake inhibitor.
Smiles
C(CN(C)C)[C@]1(C(=O)C=2C(CC1)=CC=CC2)C3=CC=CC=C3.Cl
Molecular Formula
C20H24ClNO
Molecular Weight
329.86
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Dexnafenodone Hydrochloride
CAS Number94096-42-1
PubChem CID154723874
IUPAC Name(2S)-2-[2-(dimethylamino)ethyl]-2-phenyl-3,4-dihydronaphthalen-1-one;hydrochloride
Molecular FormulaC20H24ClNO
Molecular Weight329.9
Topological Polar Surface Area20.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count23
Formal Charge0
Complexity385
SMILES
CN(C)CC[C@@]1(CCC2=CC=CC=C2C1=O)C3=CC=CC=C3.Cl
InChI
InChI=1S/C20H23NO.ClH/c1-21(2)15-14-20(17-9-4-3-5-10-17)13-12-16-8-6-7-11-18(16)19(20)22;/h3-11H,12-15H2,1-2H3;1H/t20-;/m0./s1
InChIKey
IFLAOONIDYUCJU-BDQAORGHSA-N
Chemical Structure
2D Structure
2D structure of Dexnafenodone Hydrochloride
CAS: 94096-42-1
CID: 154723874
Formula: C20H24ClNO
MW: 329.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight329.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass329.1546421
Monoisotopic Mass329.1546421
Topological Polar Surface Area20.3 Ų
Heavy Atom Count23
Formal Charge0
Complexity385
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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