SUVN-502 dimesylate monohydrateProduct ingredient for SUVN-502
- Name
- SUVN-502 dimesylate monohydrate
- Drug Entry
- SUVN-502
SUVN-502 is a novel, potent, safe, highly selective and orally active antagonist at a central nervous system serotonin receptor site 5-HT6 intended for treatment of cognitive disorders such as Alzheimer’s and Schizophrenia, an unmet medical need.
- Accession Number
- DBSALT002613
- Structure
Structure for SUVN-502 dimesylate monohydrate (DBSALT002613)
- Synonyms
- Not Available
- UNII
- 9816MUD84T
- CAS Number
- 1791396-45-6
- Weight
- Average: 688.62
Monoisotopic: 687.058971 - Chemical Formula
- C23H34BrN3O10S3
- InChI Key
- XKDCUJBWVGDNSH-UHFFFAOYSA-N
- InChI
- InChI=1S/C21H24BrN3O3S.2CH4O3S.H2O/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);1H2
- IUPAC Name
- 1-(2-bromobenzenesulfonyl)-5-methoxy-3-[(4-methylpiperazin-1-yl)methyl]-1H-indole bis(methanesulfonic acid) hydrate
- SMILES
- O.CS(O)(=O)=O.CS(O)(=O)=O.COC1=CC=C2N(C=C(CN3CCN(C)CC3)C2=C1)S(=O)(=O)C1=CC=CC=C1Br
- External Links
- ChemSpider
- 64853639
- Predicted Properties
Property Value Source Water Solubility 0.0544 mg/mL ALOGPS logP 2.84 ALOGPS logP 3.4 Chemaxon logS -3.9 ALOGPS pKa (Strongest Basic) 7.79 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 54.78 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 118.84 m3·mol-1 Chemaxon Polarizability 46.58 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon