Apraclonidine hydrochlorideProduct ingredient for Apraclonidine

Name
Apraclonidine hydrochloride
Drug Entry
Apraclonidine

Apraclonidine, also known as iopidine, is a sympathomimetic used in glaucoma therapy. It is an alpha2-adrenergic agonist.

Accession Number
DBSALT000819
Structure
Synonyms
Apraclonidine HCl
UNII
D2VW67N38H
CAS Number
73218-79-8
Weight
Average: 281.569
Monoisotopic: 280.004929493
Chemical Formula
C9H11Cl3N4
InChI Key
OTQYGBJVDRBCHC-UHFFFAOYSA-N
InChI
InChI=1S/C9H10Cl2N4.ClH/c10-6-3-5(12)4-7(11)8(6)15-9-13-1-2-14-9;/h3-4H,1-2,12H2,(H2,13,14,15);1H
IUPAC Name
2,6-dichloro-N1-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,4-diamine hydrochloride
SMILES
Cl.NC1=CC(Cl)=C(NC2=NCCN2)C(Cl)=C1
PubChem Compound
51763
ChemSpider
46848
ChEBI
2789
ChEMBL
CHEMBL1200379
Wikipedia
Apraclonidine
Predicted Properties
PropertyValueSource
Water Solubility0.409 mg/mLALOGPS
logP2.14ALOGPS
logP1.66Chemaxon
logS-2.8ALOGPS
pKa (Strongest Basic)8.48Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area62.44 Å2Chemaxon
Rotatable Bond Count1Chemaxon
Refractivity63.79 m3·mol-1Chemaxon
Polarizability23.25 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon