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SB 243213 hydrochloride

CAT: 0013-GTR19204838-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19204838-01Size:25 mg
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Description
SB 243213 hydrochloride is a potent, selective, and orally bioavailable 5-HT2C receptor antagonist (pKi 9.37) . Its high affinity makes it a valuable research tool for investigating the receptor's role in psychiatric disorders, including anxiety and schizophrenia, in both in vitro and in vivo models.
CAS Number
200940-23-4
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Smiles
Cl.O=C (NC1=CN=C (OC2=CC=CN=C2C) C=C1) N3C=4C=C (C (=CC4CC3) C) C (F) (F) F
Molecular Formula
C22H20ClF3N4O2
Molecular Weight
464.87
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1H-Indole-1-carboxamide, 2,3-dihydro-5-methyl-N-[6-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]-6-(trifluoromethyl)-, hydrochloride (1:1)
CAS Number200940-23-4
PubChem CID15981450
IUPAC Name5-methyl-N-[6-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide;hydrochloride
Molecular FormulaC22H20ClF3N4O2
Molecular Weight464.9
Topological Polar Surface Area67.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count32
Formal Charge0
Complexity634
SMILES
CC1=CC2=C(C=C1C(F)(F)F)N(CC2)C(=O)NC3=CN=C(C=C3)OC4=C(N=CC=C4)C.Cl
InChI
InChI=1S/C22H19F3N4O2.ClH/c1-13-10-15-7-9-29(18(15)11-17(13)22(23,24)25)21(30)28-16-5-6-20(27-12-16)31-19-4-3-8-26-14(19)2;/h3-6,8,10-12H,7,9H2,1-2H3,(H,28,30);1H
InChIKey
OOOGUILTDUSZPA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1H-Indole-1-carboxamide, 2,3-dihydro-5-methyl-N-[6-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]-6-(trifluoromethyl)-, hydrochloride (1:1)
CAS: 200940-23-4
CID: 15981450
Formula: C22H20ClF3N4O2
MW: 464.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight464.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass464.1226881
Monoisotopic Mass464.1226881
Topological Polar Surface Area67.4 Ų
Heavy Atom Count32
Formal Charge0
Complexity634
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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