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
Thumb
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
ChemSpider
21173841
Predicted Properties
PropertyValueSource
Water Solubility0.0507 mg/mLALOGPS
logP2.06ALOGPS
logP2.56ChemAxon
logS-3.8ALOGPS
pKa (Strongest Acidic)9.65ChemAxon
pKa (Strongest Basic)9ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area61.72 Å2ChemAxon
Rotatable Bond Count7ChemAxon
Refractivity86.64 m3·mol-1ChemAxon
Polarizability34.11 Å3ChemAxon
Number of Rings2ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon