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Tedatioxetine

CAT: 0931-T34795-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T34795-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
508233-95-2
Target
5-HT Receptor, Dopamine Receptor, Serotonin Transporter, Adrenergic Receptor
Related Pathways
GPCR/G Protein, Neuroscience
Purity
>99.99%
Bioactivity
Tedatioxetine (Lu AA24530) is a serotonin-norepinephrine-dopamine reuptake inhibitor (SNDRI) with antidepressant properties.Tedatioxetine acts as a CYP2D6 substrate.
Smiles
S(C1=CC=C(C=C1)C)C=2C=CC=CC2C3CCNCC3
Molecular Formula
C18H21NS
Molecular Weight
283.43
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Tedatioxetine

Tedatioxetine is a member of piperidines.

CAS Number508233-95-2
PubChem CID9878913
IUPAC Name4-[2-(4-methylphenyl)sulfanylphenyl]piperidine
Molecular FormulaC18H21NS
Molecular Weight283.4
XLogP4.5
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count20
Formal Charge0
Complexity279
SMILES
CC1=CC=C(C=C1)SC2=CC=CC=C2C3CCNCC3
InChI
InChI=1S/C18H21NS/c1-14-6-8-16(9-7-14)20-18-5-3-2-4-17(18)15-10-12-19-13-11-15/h2-9,15,19H,10-13H2,1H3
InChIKey
CVASBKDYSQKLSO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tedatioxetine
CAS: 508233-95-2
CID: 9878913
Formula: C18H21NS
MW: 283.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight283.4
XLogP34.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass283.13947085
Monoisotopic Mass283.13947085
Topological Polar Surface Area37.3 Ų
Heavy Atom Count20
Formal Charge0
Complexity279
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