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Centanafadine hydrochloride

CAT: 0931-T10758L-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T10758L-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
923981-14-0
Target
Adrenergic Receptor, Dopamine Receptor, Norepinephrine, Serotonin Transporter
Related Pathways
Neuroscience, GPCR/G Protein
Purity
0.9966
Bioactivity
Centanafadine hydrochloride (EB-1020 hydrochloride) is a dual inhibitor of norepinephrine (NE) /dopamine (DA) transporter, also inhibits serotonin transporter (IC50s: 6 nM, 38 nM, and 83 nM for human NE, DA, and serotonin transporter) .
Smiles
Cl.C1[C@@H]2CNC[C@]12c1ccc2ccccc2c1
Molecular Formula
C15H16ClN
Molecular Weight
245.75
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Centanafadine Hydrochloride

See also: Centanafadine (annotation moved to).

CAS Number923981-14-0
PubChem CID68943792
IUPAC Name(1R,5S)-1-naphthalen-2-yl-3-azabicyclo[3.1.0]hexane;hydrochloride
Molecular FormulaC15H16ClN
Molecular Weight245.74
Topological Polar Surface Area12
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count17
Formal Charge0
Complexity287
SMILES
C1[C@H]2[C@@]1(CNC2)C3=CC4=CC=CC=C4C=C3.Cl
InChI
InChI=1S/C15H15N.ClH/c1-2-4-12-7-13(6-5-11(12)3-1)15-8-14(15)9-16-10-15;/h1-7,14,16H,8-10H2;1H/t14-,15+;/m1./s1
InChIKey
ACVMJAJGCQUPKX-LIOBNPLQSA-N
Chemical Structure
2D Structure
2D structure of Centanafadine Hydrochloride
CAS: 923981-14-0
CID: 68943792
Formula: C15H16ClN
MW: 245.74
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight245.74
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass245.0971272
Monoisotopic Mass245.0971272
Topological Polar Surface Area12 Ų
Heavy Atom Count17
Formal Charge0
Complexity287
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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