基本情報
- CAS
27064-95-5- 標準SMILES
Cl.Cl.Fc1ccc(C(c2ccc(F)cc2)N2CCN(C/C=C/c3ccccc3)CC2)cc1- InChIKey
RXKMOPXNWTYEHI-RDRKJGRWSA-N- 分子式
- C26H28Cl2F2N2
- 平均分子量
- 477.4 g/mol
- 単同位体質量
- 476.1597606
概要
Flunarizine hydrochloride is a diarylmethane.
名称と識別子
- 優先名称
- Flunarizine Hydrochloride
- IUPAC
- 1-[bis(4-fluorophenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine;dihydrochloride
名称と別名
30484-77-6flunarizine hydrochlorideFlunarizine HClFlunarizine (as hydrochloride)FlurizinMigarid-10R 14950(E)-1-(Bis-(p-fluorophenyl)methyl)-4-cinnamylpiperazine dihydrochlorideHydrochloride, FlunarizineR-14950C11102TO53NSC-757807
名称をさらに表示
Dihydrochloride, FlunarizineR 14,950DTXSID80184554Piperazine, 1-(bis(4-fluorophenyl)methyl)-4-(3-phenyl-2-propenyl)-, dihydrochloride, (E)-RefChem:599353DTXCID20107045250-216-6Flunarizine dihydrochloride
データベース識別子
- CAS
27064-95-5、30484-77-6- PubChem CID
- 5282407
- DTXSID
DTXSID80184554- ChEMBL
CHEMBL539027、CHEMBL552659- ChEBI
CHEBI:31621- UNII
- C11102TO53
- EC Number
- 248-203-5、250-216-6
物性
構造計算による物性
- 極性表面積
- 6.5 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 4
- 回転可能結合数
- 6
- 重原子数
- 32
- 形式電荷
- 0
- 複雑度
- 487
実験および物理化学的性質
Collision Cross Section210.3 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 1% (1 of 99) of reports.
Warning
H302 (99%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 99 reports by companies from 6 notifications to the ECHA C&L Inventory.
危険有害性情報
Other Safety InformationIMAP assessments - Piperazine, 1-[bis(4-fluorophenyl)methyl]-4-(3-phenyl-2-propenyl)-, dihydrochloride, (E)-: Environment tier I assessment
Hazard Classes and CategoriesAcute Tox. 4 (99%)
化学と産業
薬理情報
MeSH Pharmacological Classification
Drugs used to prevent SEIZURES or reduce their severity.
A class of drugs that act by selective inhibition of calcium influx through cellular membranes.
Drugs that selectively bind to but do not activate histamine H1 receptors, thereby blocking the actions of endogenous histamine. Included here are the classical antihistaminics that antagonize or prevent the action of histamine mainly in immediate hypersensitivity. They act in the bronchi, capillaries, and some other smooth muscles, and are used to prevent or allay motion sickness, seasonal rhinitis, and allergic dermatitis and to induce somnolence. The effects of blocking central nervous system H1 receptors are not as well understood.
Drugs used to cause dilation of the blood vessels.
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