BRETYLIUM TOSYLATE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII 78ZP3YR353
EPA CompTox DTXSID1022685

Structure

InChI Key KVWNWTZZBKCOPM-UHFFFAOYSA-M
Smiles CC[N+](C)(C)Cc1ccccc1Br.Cc1ccc(S(=O)(=O)[O-])cc1
InChI
InChI=1S/C11H17BrN.C7H8O3S/c1-4-13(2,3)9-10-7-5-6-8-11(10)12;1-6-2-4-7(5-3-6)11(8,9)10/h5-8H,4,9H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H24BrNO3S
Molecular Weight 414.37
AlogP 3.05
Number of Rotational Bond 3.0
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 13.0

Pharmacology

Mechanism of Action Action Reference
Norepinephrine transporter substrate SUBSTRATE ISBN PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 70.25-98.48
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 70.25-98.48

Target Conservation

Protein: Norepinephrine transporter
Description: Sodium-dependent noradrenaline transporter
Organism : Homo sapiens
P23975 ENSG00000103546

Cross References

Resources Reference
ChEBI 3173
ChEMBL CHEMBL1095292
FDA SRS 78ZP3YR353
PubChem 6100
SureChEMBL SCHEMBL40898
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