RITODRINE HYDROCHLORIDE

Search structure
Trade Names:
Synonyms:
Status: Approved (1991)
Entry Type: Small molecule
Molecule Category: Salt
UNII: ESJ56Q60GC
Parent Compound: RITODRINE

Structure
InChI Key IDLSITKDRVDKRV-XHXSRVRCSA-N
Smile C[C@H](NCCc1ccc(O)cc1)[C@H](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/t12-,17-;/m0./s1

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

Action Mechanism of Action Reference
AGONIST Beta-2 adrenergic receptor 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
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Related Entries

Scaffolds

Parent

Cross References

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