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
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
ChemSpider
64853639
Predicted Properties
PropertyValueSource
Water Solubility0.0544 mg/mLALOGPS
logP2.84ALOGPS
logP3.4Chemaxon
logS-3.9ALOGPS
pKa (Strongest Basic)7.79Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area54.78 Å2Chemaxon
Rotatable Bond Count4Chemaxon
Refractivity118.84 m3·mol-1Chemaxon
Polarizability46.58 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon