Landiolol HydrochlorideProduct ingredient for Landiolol

Name
Landiolol Hydrochloride
Drug Entry
Landiolol

Landiolol has been used in trials studying the treatment of Pharmacokinetics/Dynamics Study.

Accession Number
DBSALT002156
Structure
Thumb
Synonyms
Not Available
UNII
G8HQ634Y17
CAS Number
144481-98-1
Weight
Average: 546.06
Monoisotopic: 545.250393
Chemical Formula
C25H40ClN3O8
InChI Key
DLPGJHSONYLBKP-IKGOIYPNSA-N
InChI
InChI=1S/C25H39N3O8.ClH/c1-25(2)35-18-22(36-25)17-34-23(30)8-5-19-3-6-21(7-4-19)33-16-20(29)15-26-9-10-27-24(31)28-11-13-32-14-12-28;/h3-4,6-7,20,22,26,29H,5,8-18H2,1-2H3,(H,27,31);1H/t20-,22+;/m0./s1
IUPAC Name
N-(2-{[(2S)-3-[4-(3-{[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy}-3-oxopropyl)phenoxy]-2-hydroxypropyl]amino}ethyl)morpholine-4-carboximidic acid hydrochloride
SMILES
Cl.[H][C@](O)(CNCCN=C(O)N1CCOCC1)COC1=CC=C(CCC(=O)OC[C@]2([H])COC(C)(C)O2)C=C1
External Links
ChemSpider
144176
ChEBI
31760
ChEMBL
CHEMBL2362410
Predicted Properties
PropertyValueSource
Water Solubility0.163 mg/mLALOGPS
logP0.95ALOGPS
logP-0.33ChemAxon
logS-3.5ALOGPS
pKa (Strongest Acidic)-3.4ChemAxon
pKa (Strongest Basic)15.05ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count10ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area131.31 Å2ChemAxon
Rotatable Bond Count14ChemAxon
Refractivity132.21 m3·mol-1ChemAxon
Polarizability56.19 Å3ChemAxon
Number of Rings3ChemAxon
Bioavailability0ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon