BETHANIDINE SULFATE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII J4THI5N7O2
EPA CompTox DTXSID7048748

Structure

InChI Key YTIJUXVIZLYQTB-UHFFFAOYSA-N
Smiles C/N=C(\NC)NCc1ccccc1.C/N=C(\NC)NCc1ccccc1.O=S(=O)(O)O
InChI
InChI=1S/2C10H15N3.H2O4S/c2*1-11-10(12-2)13-8-9-6-4-3-5-7-9;1-5(2,3)4/h2*3-7H,8H2,1-2H3,(H2,11,12,13);(H2,1,2,3,4)

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H32N6O4S
Molecular Weight 452.58
AlogP 0.98
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 36.42
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 13.0

Pharmacology

Mechanism of Action Action Reference
Norepinephrine transporter substrate SUBSTRATE ISBN PubMed

Target Conservation

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

Cross References

Resources Reference
ChEBI 31279
ChEMBL CHEMBL2110368
FDA SRS J4THI5N7O2
PubChem 8248
SureChEMBL SCHEMBL122033
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