Home > Compound List > Compound details
30484-77-6 molecular structure
click picture or here to close

1-[bis(4-fluorophenyl)methyl]-4-(3-phenylprop-2-en-1-yl)piperazine dihydrochloride

ChemBase ID: 103955
Molecular Formular: C26H28Cl2F2N2
Molecular Mass: 477.4167264
Monoisotopic Mass: 476.15976071
SMILES and InChIs

SMILES:
Cl.Cl.Fc1ccc(cc1)C(N1CCN(CC1)C/C=C/c1ccccc1)c1ccc(F)cc1
Canonical SMILES:
Fc1ccc(cc1)C(c1ccc(cc1)F)N1CCN(CC1)C/C=C/c1ccccc1.Cl.Cl
InChI:
InChI=1S/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
InChIKey:
RXKMOPXNWTYEHI-UHFFFAOYSA-N

Cite this record

CBID:103955 http://www.chembase.cn/molecule-103955.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-[bis(4-fluorophenyl)methyl]-4-(3-phenylprop-2-en-1-yl)piperazine dihydrochloride
1-[bis(4-fluorophenyl)methyl]-4-[(2E)-3-phenylprop-2-en-1-yl]piperazine dihydrochloride
IUPAC Traditional name
1-[bis(4-fluorophenyl)methyl]-4-(3-phenylprop-2-en-1-yl)piperazine dihydrochloride
flunarizine dihydrochloride
Synonyms
1-[bis (4-fluorophenyl)methyl]-4-(3-phenyl-2-propenyl)-piperazine dihydrochloride
FLUNARIZINE
1-[Bis(4-fluorophenyl)methyl]-4-(3-phenyl-2-propenyl)piperazine dihydrochloride
Flunarizine dihydrochloride
Flunarizine 2HCl
1-[双(4-氟苯基)甲基]-4-(3-苯基-2-丙烯基)哌嗪 二盐酸盐
氟桂嗪 二盐酸盐
CAS Number
30484-77-6
EC Number
250-216-6
MDL Number
MFCD00058198
Beilstein Number
4284243
PubChem SID
24277835
162091402
PubChem CID
5282407

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.0807085  LogD (pH = 7.4) 5.754555 
Log P 6.165795  Molar Refractivity 120.2976 cm3
Polarizability 45.707912 Å3 Polar Surface Area 6.48 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Pharmacology Properties Product Information Bioassay(PubChem)
Solubility
chloroform/methanol (9:1): soluble50 mg/mL, clear, colorless expand Show data source
Melting Point
251-255°C expand Show data source
Storage Condition
2-8°C expand Show data source
RTECS
TK9187000 expand Show data source
European Hazard Symbols
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
22 expand Show data source
R:22 expand Show data source
Safety Statements
S:36/37/39 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H302 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Storage Temperature
2-8°C expand Show data source
Target
Calcium Channel expand Show data source
Purity
≥98% (TLC) expand Show data source
≥98.0% (TLC) expand Show data source
Salt Data
2HCl expand Show data source
Certificate of Analysis
Download expand Show data source
Empirical Formula (Hill Notation)
C26H26F2N2 · 2HCl expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 02153701 external link
Dihydrochloride
A vasodilator and calcium channel antagonist.
Sigma Aldrich - F8257 external link
Biochem/physiol Actions
Blocks T-type Ca2+/Na+ channels; inhibits K+-induced catecholamine release from chromaffin cells
Sigma Aldrich - F107 external link
Biochem/physiol Actions
Blocks T-type Ca2+/Na+ channels; inhibits K+-induced catecholamine release from chromaffin cells
Sigma Aldrich - 46392 external link
Other Notes
Calcium antagonist. Selectively blocks T-type calcium channels1
Biochem/physiol Actions
Blocks T-type Ca2+/Na+ channels; inhibits K+-induced catecholamine release from chromaffin cells

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle