BRETYLIUM TOSYLATE

Search structure
Trade Names:
Synonyms:
Status: Approved (1986)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 78ZP3YR353

Structure
InChI Key KVWNWTZZBKCOPM-UHFFFAOYSA-M
Smile 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
Hydrogen Bond Acceptor 0.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 3.0
Polar Surface Area 0.0
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 13.0

Pharmacology

Action Mechanism of Action Reference
SUBSTRATE Norepinephrine transporter 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

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Cross References

Resources Reference
ChEBI 3173
ChEMBL CHEMBL1095292
EPA CompTox DTXSID1022685
FDA SRS 78ZP3YR353
PubChem 6100
SureChEMBL SCHEMBL40898
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