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| CAS No.: | 30484-77-6 |
|---|---|
| Name: | Flunarizine dihydrochloride |
| Article Data: | 1 |
| Molecular Structure: | |
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| Formula: | C26H28Cl2F2N2 |
| Molecular Weight: | 477.425 |
| Synonyms: | Piperazine,1-[bis(4-fluorophenyl)methyl]-4-(3-phenyl-2-propenyl)-, dihydrochloride, (E)-;Piperazine, 1-[bis(4-fluorophenyl)methyl]-4-[(2E)-3-phenyl-2-propenyl]-,dihydrochloride (9CI);Piperazine, 1-[bis(p-fluorophenyl)methyl]-4-cinnamyl-,dihydrochloride, (E)- (8CI);(E)-1-[Bis(4-fluorophenyl)methyl]-4-cinnamylpiperazinedihydrochloride;Dinaplex;Flugeral;Flunagen;Flunarizine hydrochloride;Flunarl;Fluxarten;Gradient;Issium;Mondus;R14950; |
| EINECS: | 250-216-6 |
| Melting Point: | 188-190 °C |
| Boiling Point: | 511.3 °C at 760 mmHg |
| Flash Point: | 263 °C |
| Appearance: | White solid |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 22 |
| PSA: | 6.48000 |
| LogP: | 6.86500 |
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Specification
The Flunarizine dihydrochloride, with the CAS registry number 30484-77-6 and EINECS registry number 250-216-6, has the systematic name of 1-[bis(4-fluorophenyl)methyl]-4-[(2E)-3-phenylprop-2-en-1-yl]piperazine dihydrochloride. It belongs to the following product categories: Active Pharmaceutical Ingredients; Sodium channel. It is harmful if swallowed, and the molecular formula of the chemical is C26H28Cl2F2N2. What's more, it should be stored at 2-8°C. And it is usually used in the flunarizine hydrochloride drugs to cure cerebrovascular disease.
The physical properties of Flunarizine dihydrochloride are as followings: (1)ACD/LogP: 4.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.62; (4)ACD/LogD (pH 7.4): 4.67; (5)ACD/BCF (pH 5.5): 177.43; (6)ACD/BCF (pH 7.4): 2023.7; (7)ACD/KOC (pH 5.5): 681.19; (8)ACD/KOC (pH 7.4): 7769.51; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 6.48 Å2; (13)Flash Point: 263 °C; (14)Enthalpy of Vaporization: 78.23 kJ/mol; (15)Boiling Point: 511.3 °C at 760 mmHg; (16)Vapour Pressure: 1.43E-10 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cl.Cl.Fc1ccc(cc1)C(c2ccc(F)cc2)N3CCN(CC3)C\C=C\c4ccccc4
(2)InChI: InChI=1/C26H26F2N2.2ClH/c27-24-12-8-22(9-13-24)26(23-10-14-25(28)15-11-23)30-19-17-29(18-20-30)16-4-7-21-5-2-1-3-6-21;;/h1-15,26H,16-20H2;2*1H/b7-4+;;
(3)InChIKey: RXKMOPXNWTYEHI-RDRKJGRWBA
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| dog | LD50 | oral | > 2gm/kg (2000mg/kg) | BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) GASTROINTESTINAL: NAUSEA OR VOMITING | Kiso to Rinsho. Clinical Report. Vol. 16, Pg. 1735, 1982. |
| mouse | LD50 | intraperitoneal | 379mg/kg (379mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: DYSPNEA LUNGS, THORAX, OR RESPIRATION: CYANOSIS | Kiso to Rinsho. Clinical Report. Vol. 16, Pg. 1735, 1982. |
| mouse | LD50 | intravenous | 27mg/kg (27mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: CYANOSIS LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Kiso to Rinsho. Clinical Report. Vol. 16, Pg. 1735, 1982. |
| mouse | LD50 | oral | 285mg/kg (285mg/kg) | European Patent Application. Vol. #0187639, | |
| mouse | LD50 | subcutaneous | > 2550mg/kg (2550mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) SKIN AND APPENDAGES (SKIN): HAIR: OTHER BEHAVIORAL: ATAXIA | Kiso to Rinsho. Clinical Report. Vol. 16, Pg. 1735, 1982. |
| rat | LD50 | intraperitoneal | 305mg/kg (305mg/kg) | BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: ATAXIA | Kiso to Rinsho. Clinical Report. Vol. 16, Pg. 1735, 1982. |
| rat | LD50 | intravenous | 35mg/kg (35mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: DYSPNEA LUNGS, THORAX, OR RESPIRATION: CYANOSIS | Kiso to Rinsho. Clinical Report. Vol. 16, Pg. 1735, 1982. |
| rat | LD50 | oral | 503mg/kg (503mg/kg) | SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE BEHAVIORAL: ATAXIA | Arzneimittel-Forschung. Drug Research. Vol. 25, Pg. 1408, 1975. |
| rat | LD50 | subcutaneous | 1793mg/kg (1793mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: ATAXIA SKIN AND APPENDAGES (SKIN): HAIR: OTHER | Kiso to Rinsho. Clinical Report. Vol. 16, Pg. 1735, 1982. |