Lomerizine dihydrochlorideProduct ingredient for Lomerizine

Show full entry for Lomerizine
Name
Lomerizine dihydrochloride
Drug Entry
Lomerizine

Lomerizine is a diphenylmethylpiperazine calcium channel blocker3,4 with relatively selective central nervous system (CNS) effects.4 This drug is used to prophylactically treat migraines1,2 and is also being investigated against eye-related diseases that are associated with local circulatory disturbances, an example being normal-tension glaucoma.3

See full entry for Lomerizine
Accession Number
DBSALT002715
Structure
Similar Structures
Synonyms
Lomerizine HCl / Lomerizine hydrochloride
External IDs
KB-2796
UNII
3W473D5LIY
CAS Number
101477-54-7
Weight
Average: 541.46
Monoisotopic: 540.1758046
Chemical Formula
C27H32Cl2F2N2O3
InChI Key
LOGVKVSFYBBUAJ-UHFFFAOYSA-N
InChI
InChI=1S/C27H30F2N2O3.2ClH/c1-32-24-13-8-21(26(33-2)27(24)34-3)18-30-14-16-31(17-15-30)25(19-4-9-22(28)10-5-19)20-6-11-23(29)12-7-20;;/h4-13,25H,14-18H2,1-3H3;2*1H
IUPAC Name
1-[bis(4-fluorophenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine dihydrochloride
SMILES
Cl.Cl.COC1=CC=C(CN2CCN(CC2)C(C2=CC=C(F)C=C2)C2=CC=C(F)C=C2)C(OC)=C1OC
ChemSpider
108925
ChEMBL
CHEMBL2356978
Predicted Properties
PropertyValueSource
Water Solubility0.00673 mg/mLALOGPS
logP4.47ALOGPS
logP5.08Chemaxon
logS-4.8ALOGPS
pKa (Strongest Basic)6.73Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area34.17 Å2Chemaxon
Rotatable Bond Count8Chemaxon
Refractivity129.37 m3·mol-1Chemaxon
Polarizability49.19 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleYesChemaxon
MDDR-like RuleYesChemaxon