Dipivefrin hydrochlorideProduct ingredient for Dipivefrin

Name
Dipivefrin hydrochloride
Drug Entry
Dipivefrin

Dipivefrin is a prodrug of adrenaline, which is used to treat glaucoma. It is available as ophthalmic solution (eye drops).

Accession Number
DBSALT000626
Structure
Synonyms
Dipivefrin HCl
UNII
5QTH9UHV0K
CAS Number
64019-93-8
Weight
Average: 387.898
Monoisotopic: 387.181250782
Chemical Formula
C19H30ClNO5
InChI Key
VKFAUCPBMAGVRG-UHFFFAOYSA-N
InChI
InChI=1S/C19H29NO5.ClH/c1-18(2,3)16(22)24-14-9-8-12(13(21)11-20-7)10-15(14)25-17(23)19(4,5)6;/h8-10,13,20-21H,11H2,1-7H3;1H
IUPAC Name
2-[(2,2-dimethylpropanoyl)oxy]-5-[1-hydroxy-2-(methylamino)ethyl]phenyl 2,2-dimethylpropanoate hydrochloride
SMILES
Cl.CNCC(O)C1=CC(OC(=O)C(C)(C)C)=C(OC(=O)C(C)(C)C)C=C1
PubChem Compound
71486
ChemSpider
64562
ChEBI
4647
ChEMBL
CHEMBL1200833
Wikipedia
Dipivefrine
Predicted Properties
PropertyValueSource
Water Solubility0.0582 mg/mLALOGPS
logP3.17ALOGPS
logP3.71Chemaxon
logS-3.8ALOGPS
pKa (Strongest Acidic)14Chemaxon
pKa (Strongest Basic)9.33Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area84.86 Å2Chemaxon
Rotatable Bond Count9Chemaxon
Refractivity94.94 m3·mol-1Chemaxon
Polarizability38.79 Å3Chemaxon
Number of Rings1Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon