基本情報
- CAS
2622-26-6- 標準SMILES
N#Cc1ccc2c(c1)N(CCCN1CCC(O)CC1)c1ccccc1S2- InChIKey
LUALIOATIOESLM-UHFFFAOYSA-N- 分子式
- C21H23N3OS
- 平均分子量
- 365.5 g/mol
- 単同位体質量
- 365.15618354
概要
Periciazine is a member of the class of phenothiazines that is 10H-phenothiazine substituted by a 3-(4-hydroxypiperidin-1-yl)propyl group at the nitrogen atom and a carbonitrile group at position 2. Periciazine is a first generation antipsychotic. It has a role as a sedative, an adrenergic antagonist and a first generation antipsychotic. It is a nitrile, a member of phenothiazines and a hydroxypiperidine. It derives from a hydride of a 10H-phenothiazine.
名称と識別子
- 優先名称
- Periciazine
- IUPAC
- 10-[3-(4-hydroxypiperidin-1-yl)propyl]phenothiazine-2-carbonitrile
- 現地名
- プロペリシアジン
- 英語名
- PROPERICYAZINE
- 分子式
- C21H23N3OS
- 分子量
- 365.49
名称と別名
periciazinePERICYAZINEPropericiazine2622-26-6PiperocyanomazineNeulactilPericiazinumPericiazina10-(3-(4-Hydroxypiperidino)propyl)phenothiazine-2-carbonitrile2-Cyano-10-(3-(4-hydroxy-1-piperidyl)propyl)phenothiazineDTXSID5045910WH 7508
名称をさらに表示
ペリシアジヌムプロペルシアジン2-シアノ-10-[3-(4-ヒドロキシ-1-ピペリジニル)プロピル]-10H-フェノチアジン10-[3-(4-ヒドロキシピペリジン-1-イル)プロピル]-10H-フェノチアジン-2-カルボニトリルネマクチル1-[3-(2-シアノ-10H-フェノチアジン-10-イル)プロピル]-4-ピペリジノール10-[3-(4-ヒドロキシ-1-ピペリジニル)プロピル]-10H-フェノチアジン-2-カルボニトリルアオレプトイリヤキン10-[3-(4-ヒドロキシピペリジノ)プロピル]-10H-フェノチアジン-2-カルボニトリルノイレプチルプロペリシアジンニューレプチルノイラクチルペリシアジンニュレプチルプロペリシアジン (JAN)ic6002rp8908wh75086909rpAoleptIC 6002RP 8908
物性
構造計算による物性
- XLogP
- 3.5
- 極性表面積
- 75.8 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 5
- 回転可能結合数
- 4
- 重原子数
- 26
- 形式電荷
- 0
- 複雑度
- 513
実験および物理化学的性質
Drugs
Pharmaceuticals -> Antipsychotics
Pharmaceuticals -> Listed in ZINC15
LogP
3.52
3.89
Solubility5.90e-02 g/L
Human Drugs
Breast Feeding; Lactation; Milk, Human; Antipsychotic Agents; Phenothiazines
Pharmaceuticals
Melting Point
116-117 °C
116 - 117 °C
Physical DescriptionSolid
Dissociation Constants8.76
Collision Cross Section
186.6 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
194.22 Ų [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
186.4 Ų [M+H]+ [CCS Type: TW; Method: Major Mix IMS/Tof Calibration Kit (Waters)]
物理化学的性質
- 融点
- 116 · 116-117°
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory InformationPericyazine: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 10H-Phenothiazine-2-carbonitrile, 10-[3-(4-hydroxy-1-piperidinyl)propyl]-: Environment tier I assessment
Hazard Classes and CategoriesAcute Tox. 4 (100%)
毒性情報
Effects During Pregnancy and Lactation◉ Summary of Use during Lactation
安全データ
- rtecs
- SN7175000
- 毒性
- LD50 orally in rats: 395 mg/kg (Schafer)
- risk_code
- 22-36/37/38-20/21/22
- hazard_code
- Xn
- safety_code
- 26-36
化学と産業
薬理情報
ATC Code
N - Nervous system
QN - Nervous system
Pharmacodynamics
Pericyazine is a phenothiazine of the piperidine group. It has been shown to reduce pathologic arousal and affective tension in some psychotic patients, while the symptoms of abnormal mental integration are relatively unaffected. It is a sedative phenothiazine with weak antipsychotic properties. It also has adrenolytic, anticholinergic, metabolic and endocrine effects, and an action on the extrapyramidal system.
Mechanism of Action
Pericyazine, like other phenothiazines, is presumed to act principally in the subcortical areas, by producing what has been described as a central adrenergic blockade of the alpha adrenergic receptors as well as antagonism of the D(1) dopamine receptor.
Cellular LocationsMembrane
用途と製造
Use ClassificationPharmaceuticals
応用分野
使用Psychotherapeutic phenothiazine. Antipsychotic.
調製方法
純化方法It recrystallises from a saturated solution in cyclohexane. It is antipsychotic and is a sensitive reagent for Pd, Va, Ru, Rh and Au. [Gowda et al. Anal Chem 55 1816 1983, Anal Chim Acta 154 347 1983, Beilstein 27 III/IV 4110.]
上流・下流製品情報
上流原料
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