Isoxsuprine hydrochlorideProduct ingredient for Isoxsuprine
- Name
- Isoxsuprine hydrochloride
- Drug Entry
- Isoxsuprine
A beta-adrenergic agonist that causes direct relaxation of uterine and vascular smooth muscle. Its vasodilating actions are greater on the arteries supplying skeletal muscle than on those supplying skin. It is used in the treatment of peripheral vascular disease and in premature labor.
- Accession Number
- DBSALT001553
- Structure
Structure for Isoxsuprine hydrochloride (DBSALT001553)
- Synonyms
- Isoxsuprine HCl
- UNII
- V74TEQ36CO
- CAS Number
- 579-56-6
- Weight
- Average: 337.84
Monoisotopic: 337.1444713 - Chemical Formula
- C18H24ClNO3
- InChI Key
- QVPSGVSNYPRFAS-BQZDIUEZSA-N
- InChI
- InChI=1S/C18H23NO3.ClH/c1-13(12-22-17-6-4-3-5-7-17)19-14(2)18(21)15-8-10-16(20)11-9-15;/h3-11,13-14,18-21H,12H2,1-2H3;1H/t13-,14-,18-;/m1./s1
- IUPAC Name
- 4-[(1S,2R)-1-hydroxy-2-{[(2R)-1-phenoxypropan-2-yl]amino}propyl]phenol hydrochloride
- SMILES
- Cl.C[C@H](COC1=CC=CC=C1)N[C@H](C)[C@@H](O)C1=CC=C(O)C=C1
- External Links
- ChemSpider
- 21173841
- Predicted Properties
Property Value Source Water Solubility 0.0507 mg/mL ALOGPS logP 2.06 ALOGPS logP 2.56 Chemaxon logS -3.8 ALOGPS pKa (Strongest Acidic) 9.65 Chemaxon pKa (Strongest Basic) 9 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 61.72 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 86.64 m3·mol-1 Chemaxon Polarizability 34.11 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon