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Flunarizine dihydrochloride

  • Name Flunarizine dihydrochloride
  • EINECS250-216-6
  • CAS No. 30484-77-6
  • DensityN/A
  • PSA6.48000
  • LogP6.86500
  • SolubilityN/A
  • Melting Point188-190 °C
  • FormulaC26H28Cl2F2N2
  • Boiling Point511.3 °C at 760 mmHg
  • Molecular Weight477.425
  • Flash Point263 °C
  • Transport InformationN/A
  • AppearanceWhite solid
  • Safety
  • Risk Codes22
  • Molecular Structure
    Molecular Structure of 30484-77-6 (Flunarizine dihydrochloride)
  • Hazard SymbolsHarmfulXn
  • SynonymsHarmfulXn
  • Article Data1

Flunarizine dihydrochloride 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.

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