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TAK-233

CAT: 0013-GTR19210485-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19210485-02Size:50 mg
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Description
TAK-233 is a selective agonist for the 5-HT2C receptor. This small molecule is utilized in research to investigate the receptor's role in conditions such as obesity and psychiatric disorders, with applications in both in vitro binding assays and in vivo behavioral studies.
CAS Number
2733550-33-7
Field of Research
Epigenetics & Chromatin
Smiles
S (C (C) C) (=O) (=O) C1=C (O) C (NC=2NC (C (=O) N2) C3=CC=CC=C3) =CC=C1Cl
Molecular Formula
C18H18ClN3O4S
Molecular Weight
407.87
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-(4-Chloro-2-hydroxy-3-propan-2-ylsulfonylanilino)-4-phenyl-1,4-dihydroimidazol-5-one
CAS Number2733550-33-7
PubChem CID162667668
IUPAC Name2-(4-chloro-2-hydroxy-3-propan-2-ylsulfonylanilino)-4-phenyl-1,4-dihydroimidazol-5-one
Molecular FormulaC18H18ClN3O4S
Molecular Weight407.9
XLogP3.1
Topological Polar Surface Area116
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity685
SMILES
CC(C)S(=O)(=O)C1=C(C=CC(=C1O)NC2=NC(C(=O)N2)C3=CC=CC=C3)Cl
InChI
InChI=1S/C18H18ClN3O4S/c1-10(2)27(25,26)16-12(19)8-9-13(15(16)23)20-18-21-14(17(24)22-18)11-6-4-3-5-7-11/h3-10,14,23H,1-2H3,(H2,20,21,22,24)
InChIKey
YAIRJYKCPPEBIW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(4-Chloro-2-hydroxy-3-propan-2-ylsulfonylanilino)-4-phenyl-1,4-dihydroimidazol-5-one
CAS: 2733550-33-7
CID: 162667668
Formula: C18H18ClN3O4S
MW: 407.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight407.9
XLogP33.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass407.0706549
Monoisotopic Mass407.0706549
Topological Polar Surface Area116 Ų
Heavy Atom Count27
Formal Charge0
Complexity685
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

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