Hexoprenaline sulfateProduct ingredient for Hexoprenaline
- Name
- Hexoprenaline sulfate
- Drug Entry
- Hexoprenaline
Hexoprenaline is a stimulant of beta 2 adrenergic receptors. It is used as a bronchodilator, antiasthmatic, and tocolytic agent.
- Accession Number
- DBSALT001080
- Structure
Structure for Hexoprenaline sulfate (DBSALT001080)
- Synonyms
- Hexoprenaline sulfate
- UNII
- U851S9102C
- CAS Number
- 32266-10-7
- Weight
- Average: 518.58
Monoisotopic: 518.193416477 - Chemical Formula
- C22H34N2O10S
- InChI Key
- GTDCHGNGVGRHQY-UHFFFAOYSA-N
- InChI
- InChI=1S/C22H32N2O6.H2O4S/c25-17-7-5-15(11-19(17)27)21(29)13-23-9-3-1-2-4-10-24-14-22(30)16-6-8-18(26)20(28)12-16;1-5(2,3)4/h5-8,11-12,21-30H,1-4,9-10,13-14H2;(H2,1,2,3,4)
- IUPAC Name
- 4-{2-[(6-{[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]amino}hexyl)amino]-1-hydroxyethyl}benzene-1,2-diol; sulfuric acid
- SMILES
- OS(O)(=O)=O.OC(CNCCCCCCNCC(O)C1=CC(O)=C(O)C=C1)C1=CC(O)=C(O)C=C1
- External Links
- KEGG Drug
- D02396
- ChemSpider
- 33199
- ChEBI
- 31670
- ChEMBL
- CHEMBL2104813
- Predicted Properties
Property Value Source Water Solubility 0.199 mg/mL ALOGPS logP 1.14 ALOGPS logP 0.22 Chemaxon logS -3.3 ALOGPS pKa (Strongest Acidic) 8.69 Chemaxon pKa (Strongest Basic) 10.18 Chemaxon Physiological Charge 2 Chemaxon Hydrogen Acceptor Count 8 Chemaxon Hydrogen Donor Count 8 Chemaxon Polar Surface Area 145.44 Å2 Chemaxon Rotatable Bond Count 13 Chemaxon Refractivity 115.2 m3·mol-1 Chemaxon Polarizability 45.96 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon