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Dothiepin

CAT: 0931-T78126-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T78126-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
113-53-1
Target
5-HT Receptor, Histamine Receptor
Related Pathways
Neuroscience, Immunology/Inflammation, GPCR/G Protein
Bioactivity
Dothiepin (Dosulepin; Dothep), an antidepressant with sedative/anxiolytic properties, preferentially inhibits noradrenaline over serotonin uptake, enhancing noradrenergic neurotransmission by blocking neuronal reuptake. Additionally, it acts as a histamine H1-receptor antagonist and lacks cardiotoxicity. Its analgesic efficacy is noted in conditions such as psychogenic facial pain, idiopathic fibromyalgia syndrome, and rheumatoid arthritis [1].
Smiles
S1C=2C=CC=CC2C(=CCCN(C)C)C=3C=CC=CC3C1
Molecular Formula
C19H21NS
Molecular Weight
295.44
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Dothiepin

A tricyclic antidepressant with some tranquilizing action.

CAS Number113-53-1
PubChem CID3155
IUPAC Name3-(6H-benzo[c][1]benzothiepin-11-ylidene)-N,N-dimethylpropan-1-amine
Molecular FormulaC19H21NS
Molecular Weight295.4
XLogP4.5
Topological Polar Surface Area28.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count21
Formal Charge0
Complexity363
SMILES
CN(C)CCC=C1C2=CC=CC=C2CSC3=CC=CC=C31
InChI
InChI=1S/C19H21NS/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3
InChIKey
PHTUQLWOUWZIMZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dothiepin
CAS: 113-53-1
CID: 3155
Formula: C19H21NS
MW: 295.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight295.4
XLogP34.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass295.13947085
Monoisotopic Mass295.13947085
Topological Polar Surface Area28.5 Ų
Heavy Atom Count21
Formal Charge0
Complexity363
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-12394Dothiepin
FD65010Dothiepin HCl
010957Dothiepin-d3
GP3558-1gDothiepin hydrochloride
HY-12394S1-01Dothiepin-d6 (hydrochloride)
HY-165378(E) -Dothiepin (hydrochloride)
AR-D02313-01Dothiepin-13C-d3
447675-01Dothiepin-S, S-dioxide
CS-O-46691Dothiepin Sulfoxide (E-isomer)

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