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Masupirdine mesylate

CAT: 0931-T11949-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T11949-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1791396-46-7
Target
5-HT Receptor
Related Pathways
GPCR/G Protein, Neuroscience
Purity
0.9957
Bioactivity
Masupirdine mesylate (SUVN-502 mesylate) is a selective 5-HT6 receptor antagonist that crosses the blood-brain barrier and is utilized in the study of neurological disorders such as Alzheimer's disease and dementia.
Smiles
CS(O)(=O)=O.CS(O)(=O)=O.COc1ccc2n(cc(CN3CCN(C)CC3)c2c1)S(=O)(=O)c1ccccc1Br
Molecular Formula
C23H32BrN3O9S3
Molecular Weight
670.61
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

SUVN-502 dimesylate
CAS Number1791396-46-7
PubChem CID118142730
IUPAC Name1-(2-bromophenyl)sulfonyl-5-methoxy-3-[(4-methylpiperazin-1-yl)methyl]indole;methanesulfonic acid
Molecular FormulaC23H32BrN3O9S3
Molecular Weight670.6
Topological Polar Surface Area189
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count5
Heavy Atom Count39
Formal Charge0
Complexity743
SMILES
CN1CCN(CC1)CC2=CN(C3=C2C=C(C=C3)OC)S(=O)(=O)C4=CC=CC=C4Br.CS(=O)(=O)O.CS(=O)(=O)O
InChI
InChI=1S/C21H24BrN3O3S.2CH4O3S/c1-23-9-11-24(12-10-23)14-16-15-25(20-8-7-17(28-2)13-18(16)20)29(26,27)21-6-4-3-5-19(21)22;2*1-5(2,3)4/h3-8,13,15H,9-12,14H2,1-2H3;2*1H3,(H,2,3,4)
InChIKey
LOZVXBFXRPRECW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of SUVN-502 dimesylate
CAS: 1791396-46-7
CID: 118142730
Formula: C23H32BrN3O9S3
MW: 670.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight670.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count5
Exact Mass669.04841
Monoisotopic Mass669.04841
Topological Polar Surface Area189 Ų
Heavy Atom Count39
Formal Charge0
Complexity743
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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