Basic information
- Name:
Lomerizine dihydrochloride
- CAS No.:
101477-54-7
- Molecular Structure:
- Formula:
- C27H32Cl2F2N2O3
- Molecular Weight:
- 541.46
- Synonyms:
- Piperazine,1-[bis(4-fluorophenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]-,dihydrochloride (9CI);1-(2,3,4-Trimethoxybenzyl)-4-(bis(4-fluorophenyl)methyl)piperazine dihydrochloride;1-(Bis(4-fluorophenyl)methyl)-4-((2,3,4-trimethoxyphenyl)methyl)piperazine dihydrochloride;Lomerizinehydrochloride;Lomerizine HCl;
- Melting Point:
- 214-218 °C
- Boiling Point:
- 527.3 °C at 760 mmHg
- Flash Point:
- 272.7 °C
- Appearance:
- colourless crystalline solid
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Chemistry
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IUPAC Name: 1-[Bis(4-fluorophenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine dihydrochloride
Molecular Formula: C27H32Cl2F2N2O3
Molecular Weight: 541.46 g/mol
Canonical SMILES: c1(c(c(CN2CCN(CC2)C(c2ccc(F)cc2)c2ccc(cc2)F)ccc1OC)OC)OC.Cl.Cl
InChI: InChI=1/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
Product Categories: APIs; Heterocyclic Compounds; Intermediates & Fine Chemicals; Neurochemicals; Pharmaceuticals
Classification Code: Calcium channel blockers; Cardiovascular Agents; Drug / Therapeutic Agent; Membrane Transport Modulators
H-Bond Donor: 2
H-Bond Acceptor: 7
Rotatable Bond Count: 8
Exact Mass: 540.175805
MonoIsotopic Mass: 540.175805
Topological Polar Surface Area: 34.2
Heavy Atom Count: 36
Complexity: 568
Flash Point: 272.7 °C
Enthalpy of Vaporization: 80.18 kJ/mol
Boiling Point: 527.3 °C at 760 mmHg
Melting Point: 214-218 °C dec.
Vapour Pressure of Lomerizine dihydrochloride (CAS NO.101477-54-7): 3.31E-11 mmHg at 25 °C
Uses
Lomerizine dihydrochloride (CAS NO.101477-54-7) is used as a diphenylpiperazine calcium channel blocker. It is a selective cerebral vasodilator.
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| dog | LD50 | oral | 706mg/kg (706mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: CYANOSIS GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" | Cardiovascular Drug Reviews. Vol. 8, Pg. 105, 1990. |
| mouse | LD50 | intravenous | 44mg/kg (44mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: CYANOSIS GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" | Cardiovascular Drug Reviews. Vol. 8, Pg. 105, 1990. |
| mouse | LD50 | oral | 300mg/kg (300mg/kg) | European Patent Application. Vol. #159566, | |
| mouse | LD50 | subcutaneous | > 1200mg/kg (1200mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: CYANOSIS GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" | Cardiovascular Drug Reviews. Vol. 8, Pg. 105, 1990. |
| rat | LD50 | intravenous | 27mg/kg (27mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: CYANOSIS GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" | Cardiovascular Drug Reviews. Vol. 8, Pg. 105, 1990. |
| rat | LD50 | oral | 307mg/kg (307mg/kg) | Cardiovascular Drug Reviews. Vol. 8, Pg. 105, 1990. | |
| rat | LD50 | subcutaneous | 882mg/kg (882mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: CYANOSIS GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" | Cardiovascular Drug Reviews. Vol. 8, Pg. 105, 1990. |
Specification
Lomerizine dihydrochloride (CAS NO.101477-54-7), its Synonyms are Piperazine, 1-(bis(4-fluorophenyl)methyl)-4-((2,3,4-trimethoxyphenyl)methyl)-, dihydrochloride ; 1-(2,3,4-Trimethoxybenzyl)-4-(bis(4-fluorophenyl)methyl)piperazine dihydrochloride ; 1-(Bis(4-fluorophenyl)methyl)-4-((2,3,4-trimethoxyphenyl)methyl)piperazine dihydrochloride ; Lomerizine HCl ; Lomerizine hydrochloride . It is colourless crystalline solid.