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SB 399885 hydrochloride

CAT: 0607-B7309-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-B7309-50Size:50 mg
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Description
5-HT6 antagonist
CAS Number
402713-81-9
Product Name Alternative
N-(3,5-dichloro-2-methoxyphenyl)-4-methoxy-3-(piperazin-1-yl)benzenesulfonamide hydrochloride
Field of Research
GPCR G protein 5-HT Receptor
Form
Off White solid
Solubility
Soluble in DMSO
Smiles
COC1=C(N2CCNCC2)C=C(S(NC3=CC(Cl)=CC(Cl)=C3OC)(=O)=O)C=C1.Cl
Molecular Formula
C18H21Cl2N3O4S·HCl
Molecular Weight
482.81
Shipping Conditions
Blue ice
Storage Conditions
Desiccate at RT.

Chemical Information

SB 399885 Hydrochloride
CAS Number402713-81-9
PubChem CID10277652
IUPAC NameN-(3,5-dichloro-2-methoxyphenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide;hydrochloride
Molecular FormulaC18H22Cl3N3O4S
Molecular Weight482.8
Topological Polar Surface Area88.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count29
Formal Charge0
Complexity600
SMILES
COC1=C(C=C(C=C1)S(=O)(=O)NC2=C(C(=CC(=C2)Cl)Cl)OC)N3CCNCC3.Cl
InChI
InChI=1S/C18H21Cl2N3O4S.ClH/c1-26-17-4-3-13(11-16(17)23-7-5-21-6-8-23)28(24,25)22-15-10-12(19)9-14(20)18(15)27-2;/h3-4,9-11,21-22H,5-8H2,1-2H3;1H
InChIKey
RNKCEBCFUSXSQE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of SB 399885 Hydrochloride
CAS: 402713-81-9
CID: 10277652
Formula: C18H22Cl3N3O4S
MW: 482.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight482.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass481.039660
Monoisotopic Mass481.039660
Topological Polar Surface Area88.3 Ų
Heavy Atom Count29
Formal Charge0
Complexity600
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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Alternative Products

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3189/10SB 399885 hydrochloride
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A14102-100SB-399885 hydrochloride 100mg
A14102-10SB-399885 hydrochloride 10mg
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