SPARTEINE SULFATE

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Synonyms
Status
Molecule Category Salt-form
UNII GQ3J2TLZ7E

Structure

InChI Key WNSDDGBLIALDPB-HTZKOJAYSA-N
Smiles C1CCN2C[C@H]3C[C@H](CN4CCCC[C@@H]34)[C@H]2C1.O.O.O.O.O.O=S(=O)(O)O
InChI
InChI=1S/C15H26N2.H2O4S.5H2O/c1-3-7-16-11-13-9-12(14(16)5-1)10-17-8-4-2-6-15(13)17;1-5(2,3)4;;;;;/h12-15H,1-11H2;(H2,1,2,3,4);5*1H2/t12-,13-,14-,15+;;;;;;/m1....../s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H38N2O9S
Molecular Weight 422.54
AlogP 2.35
Hydrogen Bond Acceptor 2.0
Polar Surface Area 6.48
Molecular species BASE
Aromatic Rings 0.0
Heavy Atoms 17.0

Pharmacology

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
- - - - 101.04-103.71
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 101.04-103.71

Cross References

Resources Reference
ChEMBL CHEMBL2303617
FDA SRS GQ3J2TLZ7E
PubChem 20055553
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