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Thiazesim

CAT: 0013-GTR19242005-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19242005-02Size:50 mg
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Description
Thiazesim is a benzothiadiazine derivative with sedative and antidepressant properties. It is utilized in research for studying Parkinson's disease, including investigations into its mechanisms and potential neuroprotective effects in experimental models.
CAS Number
5845-26-1
Smiles
O=C1N (C=2C=CC=CC2SC (C=3C=CC=CC3) C1) CCN (C) C
Molecular Formula
C19H22N2OS
Molecular Weight
326.46
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

5-(2-(Dimethylamino)ethyl)-2,3-dihydro-2-phenyl-1,5-benzothiazepin-4(5H)-one

Tiazesim is a benzothiazepine.

CAS Number5845-26-1
PubChem CID22107
IUPAC Name5-[2-(dimethylamino)ethyl]-2-phenyl-2,3-dihydro-1,5-benzothiazepin-4-one
Molecular FormulaC19H22N2OS
Molecular Weight326.5
XLogP3.1
Topological Polar Surface Area48.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count23
Formal Charge0
Complexity395
SMILES
CN(C)CCN1C(=O)CC(SC2=CC=CC=C21)C3=CC=CC=C3
InChI
InChI=1S/C19H22N2OS/c1-20(2)12-13-21-16-10-6-7-11-17(16)23-18(14-19(21)22)15-8-4-3-5-9-15/h3-11,18H,12-14H2,1-2H3
InChIKey
QJJXOEFWXSQISU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-(2-(Dimethylamino)ethyl)-2,3-dihydro-2-phenyl-1,5-benzothiazepin-4(5H)-one
CAS: 5845-26-1
CID: 22107
Formula: C19H22N2OS
MW: 326.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight326.5
XLogP33.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass326.14528450
Monoisotopic Mass326.14528450
Topological Polar Surface Area48.9 Ų
Heavy Atom Count23
Formal Charge0
Complexity395
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T202535-01Thiazesim
HY-105857AThiazesim (hydrochloride)
T26268-01Thiazesim hydrochloride

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