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SB 258585 hydrochloride

CAT: 1410-M10810-01Size: 1 EachDry Ice: NoHazardous: No
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Description
SB-258585 is a potent, selective and orally active 5-HT6 receptor antagonist with Ki of 8.9 nM.
CAS Number
1216468-02-8
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
523.814
Molecular Formula
C18H23ClIN3O3S
Notes
Research use only, not for human use.
Receptor
5-HT Receptor

Chemical Information

SB 258585 hydrochloride
CAS Number1216468-02-8
PubChem CID53429667
IUPAC Name4-iodo-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide;hydrochloride
Molecular FormulaC18H23ClIN3O3S
Molecular Weight523.8
Topological Polar Surface Area70.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity540
SMILES
CN1CCN(CC1)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)I)OC.Cl
InChI
InChI=1S/C18H22IN3O3S.ClH/c1-21-9-11-22(12-10-21)17-13-15(5-8-18(17)25-2)20-26(23,24)16-6-3-14(19)4-7-16;/h3-8,13,20H,9-12H2,1-2H3;1H
InChIKey
BFGOZFXMAJBFGI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of SB 258585 hydrochloride
CAS: 1216468-02-8
CID: 53429667
Formula: C18H23ClIN3O3S
MW: 523.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight523.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass523.01934
Monoisotopic Mass523.01934
Topological Polar Surface Area70.3 Ų
Heavy Atom Count27
Formal Charge0
Complexity540
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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B6900-5SB 258585 hydrochloride
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MBS3840157-01SB 258585 HCl
A14026-10SB 258585 HCl 10mg
A14026-1SB 258585 HCl 1mg
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A14026-100SB 258585 HCl 100mg

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