thioridazine   Click here for help

GtoPdb Ligand ID: 100

Synonyms: Mellaril® | thioridazin | TP-21
Approved drug
thioridazine is an approved drug (FDA (1962))
Compound class: Synthetic organic
Comment: Marketed formulations may contain thioridazine hydrochloride (PubChem CID 66062).
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 4
Topological polar surface area 57.08
Molecular weight 370.15
XLogP 5.94
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1
Isomeric SMILES CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1
InChI InChI=1S/C21H26N2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3
InChI Key KLBQZWRITKRQQV-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1962))
IUPAC Name Click here for help
10-[2-(1-methylpiperidin-2-yl)ethyl]-2-methylsulfanylphenothiazine
International Nonproprietary Names Click here for help
INN number INN
818 thioridazine
Synonyms Click here for help
Mellaril® | thioridazin | TP-21
Database Links Click here for help
BindingDB Ligand 50002338
CAS Registry No. 50-52-2 (source: Scifinder)
ChEBI CHEBI:9566
ChEMBL Ligand CHEMBL479
DrugBank Ligand DB00679
DrugCentral Ligand 2637
GtoPdb PubChem SID 135651259
PubChem CID 5452
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Wikipedia Thioridazine