Orciprenaline SulfateProduct ingredient for Orciprenaline

Name
Orciprenaline Sulfate
Drug Entry
Orciprenaline

A beta-adrenergic agonist used in the treatment of asthma and bronchospasms. [PubChem]

Accession Number
DBSALT000295
Structure
Synonyms
metaproterenol sulfate
UNII
GJ20H50YF0
CAS Number
5874-97-5
Weight
Average: 520.594
Monoisotopic: 520.209066072
Chemical Formula
C22H36N2O10S
InChI Key
MKFFGUZYVNDHIH-UHFFFAOYSA-N
InChI
InChI=1S/2C11H17NO3.H2O4S/c2*1-7(2)12-6-11(15)8-3-9(13)5-10(14)4-8;1-5(2,3)4/h2*3-5,7,11-15H,6H2,1-2H3;(H2,1,2,3,4)
IUPAC Name
bis(5-{1-hydroxy-2-[(propan-2-yl)amino]ethyl}benzene-1,3-diol); sulfuric acid
SMILES
OS(O)(=O)=O.CC(C)NCC(O)C1=CC(O)=CC(O)=C1.CC(C)NCC(O)C1=CC(O)=CC(O)=C1
PubChem Compound
441333
ChemSpider
390088
ChEBI
1091941
ChEMBL
CHEMBL1568057
Predicted Properties
PropertyValueSource
Water Solubility6.92 mg/mLALOGPS
logP-0.32ALOGPS
logP0.21Chemaxon
logS-1.5ALOGPS
pKa (Strongest Acidic)8.84Chemaxon
pKa (Strongest Basic)9.7Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count4Chemaxon
Polar Surface Area72.72 Å2Chemaxon
Rotatable Bond Count8Chemaxon
Refractivity58.4 m3·mol-1Chemaxon
Polarizability22.6 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon