CLENBUTEROL HYDROCHLORIDE

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Synonyms
Status
Molecule Category Salt-form
UNII GOR5747GWU
Parent Compound: CLENBUTEROL

Structure

InChI Key OPXKTCUYRHXSBK-UHFFFAOYSA-N
Smiles CC(C)(C)NCC(O)c1cc(Cl)c(N)c(Cl)c1.Cl
InChI
InChI=1S/C12H18Cl2N2O.ClH/c1-12(2,3)16-6-10(17)7-4-8(13)11(15)9(14)5-7;/h4-5,10,16-17H,6,15H2,1-3H3;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H19Cl3N2O
Molecular Weight 313.66
AlogP 3.0
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 3.0
Polar Surface Area 58.28
Molecular species BASE
Aromatic Rings 1.0
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
- - - - 78.76-99.43
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 78.76-99.43

Cross References

Resources Reference
ChEBI 31410
ChEMBL CHEMBL1330729
FDA SRS GOR5747GWU
PubChem 30849
SureChEMBL SCHEMBL123545
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