mesoridazine   Click here for help

GtoPdb Ligand ID: 7227

Synonyms: NC-123 | Serentil® | TPS-23
Approved drug
mesoridazine is an approved drug (FDA (1970))
Compound class: Synthetic organic
Comment: The approved drug contains a racemic mixture of enantiomers [1]. The four possible isomers are depicted in PubChem CID 76960490. We show the non-isomeric molecule to represent this mixture.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 4
Topological polar surface area 68.06
Molecular weight 386.15
XLogP 3.92
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CN1CCCCC1CCN1c2ccccc2Sc2c1cc(cc2)S(=O)C
Isomeric SMILES CN1CCCCC1CCN1c2ccccc2Sc2c1cc(cc2)S(=O)C
InChI InChI=1S/C21H26N2OS2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(26(2)24)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3
InChI Key SLVMESMUVMCQIY-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1970))
IUPAC Name Click here for help
10-[2-(1-methylpiperidin-2-yl)ethyl]-2-methylsulfinylphenothiazine
International Nonproprietary Names Click here for help
INN number INN
2019 mesoridazine
Synonyms Click here for help
NC-123 | Serentil® | TPS-23
Database Links Click here for help
CAS Registry No. 5588-33-0
ChEBI CHEBI:6780
ChEMBL Ligand CHEMBL1088
DrugBank Ligand DB00933
DrugCentral Ligand 1712
GtoPdb PubChem SID 178103801
PubChem CID 4078
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Wikipedia Mesoridazine