Reproterol hydrochlorideProduct ingredient for Reproterol
- Name
- Reproterol hydrochloride
- Drug Entry
- Reproterol
Reproterol has been used in trials studying the treatment of Asthma, Exercise-Induced.
- Accession Number
- DBSALT002957
- Structure
Structure for Reproterol hydrochloride (DBSALT002957)
- Synonyms
- Reproterol hydrochloride
- External IDs
- W-2946M
- UNII
- Y4I1COJ8W8
- CAS Number
- 13055-82-8
- Weight
- Average: 425.87
Monoisotopic: 425.1465966 - Chemical Formula
- C18H24ClN5O5
- InChI Key
- XSFWDHONRBZVEJ-UHFFFAOYSA-N
- InChI
- InChI=1S/C18H23N5O5.ClH/c1-21-16-15(17(27)22(2)18(21)28)23(10-20-16)5-3-4-19-9-14(26)11-6-12(24)8-13(25)7-11;/h6-8,10,14,19,24-26H,3-5,9H2,1-2H3;1H
- IUPAC Name
- 7-(3-{[2-(3,5-dihydroxyphenyl)-2-hydroxyethyl]amino}propyl)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione hydrochloride
- SMILES
- Cl.CN1C2=C(N(CCCNCC(O)C3=CC(O)=CC(O)=C3)C=N2)C(=O)N(C)C1=O
- External Links
- ChemSpider
- 2297535
- ChEMBL
- CHEMBL2104771
- Predicted Properties
Property Value Source Water Solubility 2.88 mg/mL ALOGPS logP -0.11 ALOGPS logP -1.2 Chemaxon logS -2.1 ALOGPS pKa (Strongest Acidic) 8.84 Chemaxon pKa (Strongest Basic) 9.66 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 131.16 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 101.96 m3·mol-1 Chemaxon Polarizability 39.69 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon