Lomerizine

C₂₇H₃₀F₂N₂O₃CAS 101477-55-8468.54 g/mol

Open in Covalent MOL file

Aryl halide Ether Tertiary amine

Properties

Molecular formula: C₂₇H₃₀F₂N₂O₃
Molar mass: 468.54 g/mol
Exact mass: 468.2224 Da
logP: 4.90Crippen estimate
Polar surface area: 34.2 Å²
H-bond donors / acceptors: 0 / 5
Rotatable bonds: 8

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers
H412 Harmful to aquatic life with long lasting effects100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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, P501

Identifiers

CAS number

101477-55-8

SMILES

COc1ccc(CN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c(OC)c1OC

InChIKey

JQSAYKKFZOSZGJ-UHFFFAOYSA-N

InChI

InChI=1S/C27H30F2N2O3/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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

2 names

Piperazine, 1-[bis(4-fluorophenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]-
1-[Bis(4-fluorophenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine

Work with Lomerizine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Trimetazidine5011-34-754 % similar Trimetazidine dihydrochloride13171-25-051 % similar 1-[Bis(4-fluorophenyl)methyl]piperazine27469-60-942 % similar Flunarizine52468-60-741 % similar 2,3,4-Trimethoxybenzyl alcohol71989-96-340 % similar Flunarizine hydrochloride30484-77-639 % similar (±)-Tetrahydropalmatine2934-97-635 % similar (-)-Tetrahydropalmatine483-14-735 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook