RITODRINE HYDROCHLORIDE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII ESJ56Q60GC
Parent Compound: RITODRINE

Structure

InChI Key IDLSITKDRVDKRV-UHFFFAOYSA-N
Smiles CC(NCCc1ccc(O)cc1)C(O)c1ccc(O)cc1.Cl
InChI
InChI=1S/C17H21NO3.ClH/c1-12(17(21)14-4-8-16(20)9-5-14)18-11-10-13-2-6-15(19)7-3-13;/h2-9,12,17-21H,10-11H2,1H3;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H22ClNO3
Molecular Weight 323.82
AlogP 2.35
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 6.0
Polar Surface Area 72.72
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 21.0

Pharmacology

Mechanism of Action Action Reference
Beta-2 adrenergic receptor agonist AGONIST ISBN Wikipedia
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
- - - - 112.71-125.57
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 112.71-125.57

Target Conservation

Protein: Beta-2 adrenergic receptor
Description: Beta-2 adrenergic receptor
Organism : Homo sapiens
P07550 ENSG00000169252

Cross References

Resources Reference
ChEMBL CHEMBL1367605
FDA SRS ESJ56Q60GC
KEGG D01263
PubChem 3040551
SureChEMBL SCHEMBL3677545
ZINC ZINC00057480
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