Lomerizine
Basic information
- CAS
101477-55-8- Standard SMILES
COc1ccc(CN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c(OC)c1OC- InChIKey
JQSAYKKFZOSZGJ-UHFFFAOYSA-N- Molecular formula
- C27H30F2N2O3
- Average molar mass
- 468.5 g/mol
- Monoisotopic mass
- 468.22244915
Overview
1-[bis(4-fluorophenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine is a diarylmethane.
Names & identifiers
- Preferred name
- Lomerizine
- IUPAC
- 1-[bis(4-fluorophenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
- English name
- Lomerizine
- Molecular formula
- C27H30F2N2O3
- Molecular weight
- 468.54
Names & synonyms
lomerizine101477-55-8lomerizinaDEE37CY4VODTXSID6048387lomerizinumRefChem:153987DTXCID10283601-[bis(4-fluorophenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazineLomerizine [INN]Piperazine, 1-[bis(4-fluorophenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]-CHEMBL29188
Show more names
KB 2796TERRANASFlometizineLOMERIZINE HCLLOMERIZINE DIHCLLomerizine USP/EP/BPLomerizine in methanolN,N'-dibutylpropanediamideLOMERIZINE DIHYDROCHLORIDE
1-(Bis(p-fluorophenyl)-methyl)-4-(2,3,4-trimethoxybenzyl)piperazine1-(Bis(p-fluorophenyl)methyl)-4-(2,3,4-trimethoxybenzyl)piperazineNCGC00164543-01UNII-DEE37CY4VOiomerizineLomerazine1-(2,3,4-trimethoxybenzyl)-4-(bis(4-fluorophenyl)methyl)piperazine1-(2,3,4-trimethoxybenzyl)-4-[bis(4-fluorophenyl)methyl]piperazine
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 34.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 568
Experimental & physicochemical properties
Drugs
Pharmaceuticals -> Nervous system -> Other nervous system drugs
Pharmaceuticals -> Listed in ZINC15
Physicochemical properties
- Boiling point
- 527.3 · 527.3±45.0 °C(Predicted)
- Density
- 1.203 · 1.203±0.06 g/cm3(Predicted)
- pka
- 6.17 · 6.17±0.10(Predicted)
- CAS DataBase Reference
- 101477 · 101477-55-8(CAS DataBase Reference)
- FDA UNII
- 37 CY4VO · DEE37CY4VO
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationA class of drugs that act by selective inhibition of calcium influx through cellular membranes.
Applications
Usesantimigraine, cerebral vasodilator, Ca channel blocker
Additional notes
DefinitionChEBI: 1-[bis(4-fluorophenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine is a diarylmethane.
Related reactions
4 records
Compound notes
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