Lomerizine

HCID 3949CAS 101477-55-8
Substructure searchFind similar structures

Basic information

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
468.22244926

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
101477-55-8
PubChem CID
3949
DTXSID
DTXSID6048387
ChEMBL
CHEMBL29188
ChEBI
CHEBI:94682
UNII
DEE37CY4VO
EC Number
113-385-6
Nikkaji
J247.019E

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

Experimental & physicochemical properties

Drugs · 2 items

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

Safety & regulation

GHS classification

GHS Classification · 4 items

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

Suppliers26 total

杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Sinoway Industrial co., ltd.+86-0592-5800732 +86-13806035118 · [email protected]
LGM Pharma1-(800)-881-8210 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
武汉鹏胤药业有限公司13163333255 · [email protected]

Additional notes

DefinitionChEBI: 1-[bis(4-fluorophenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine is a diarylmethane.

Related reactions

4 records
New reaction record

Linked notes

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