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プリジノール

Pridinol

HCID 4904
ノート反応
基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
部分構造検索類似構造を探す

基本情報

CAS
511-45-5
標準SMILES
OC(CCN1CCCCC1)(c1ccccc1)c1ccccc1
InChIKey
RQXCLMGKHJWMOA-UHFFFAOYSA-N
分子式
C20H25NO
平均分子量
295.4 g/mol
単同位体質量
295.19361442

概要

Pridinol is a piperidine substituted at position 1 by a 3-hydroxy-3,3-diphenylpropyl group. It has a role as an antiparkinson drug and a muscle relaxant. It is a member of piperidines and a tertiary alcohol.

名称と識別子

優先名称
Pridinol
IUPAC
1,1-diphenyl-3-piperidin-1-ylpropan-1-ol
現地名
プリジノール
英語名
pridinol
分子式
C20H25NO
分子量
295.4186

名称と別名

pridinol511-45-51,1-diphenyl-3-(piperidin-1-yl)propan-1-olNonplesinParksParks 12 hommelPridinolumRidinolParks 121,1-Diphenyl-3-(1-piperidyl)-1-propanolC-238HH 212
名称をさらに表示
パークスα,α-ジフェニル-1-ピペリジンプロパン-1-オール1,1-ジフェニル-3-ピペリジノプロパン-1-オールα,α-ジフェニル-1-ピペリジン-1-プロパノール3-ピペリジノ-1,1-ジフェニルプロパン-1-オールプリジノールノンプレシンリジノール1,1-ジフェニル-3-(ピペリジン-1-イル)プロパン-1-オールピペリジン1-(1,1-ジフェニル-1-プロパノール)HH-212Diphepanol1-Piperidinepropanol, α,α-diphenyl-α,α-Diphenyl-1-piperidine-1-propanol
1-Piperidinepropanol, alpha,alpha-diphenyl-3-(N-Piperidyl)-1,1-diphenyl-1-propanol1,1-Diphenyl-3-piperidino-1-propanolNSC-23016238 CDTXSID0045090alpha,alpha-Diphenyl-1-piperidinepropanol9E75Q6SUUB

データベース識別子

CAS
511-45-5
PubChem CID
4904
DTXSID
DTXSID0045090
ChEMBL
CHEMBL404215
ChEBI
CHEBI:75247
UNII
9E75Q6SUUB
EC Number
208-128-0
Nikkaji
J6.268E

物性

構造計算による物性

XLogP
3.8
極性表面積
23.5 Ų
水素結合供与体数
1
水素結合受容体数
2
回転可能結合数
5
重原子数
22
形式電荷
0
複雑度
294

実験および物理化学的性質

DrugsPharmaceuticals
Color/FormCrystals
Solubility · 2 件

MW: 391.52. Crystals, mp 152.5-155.0 °C. Sparingly sol in water /Methanesulfonate/

Soluble in acetone

Human DrugsPharmaceuticals
Melting Point120-121 °C
Other Experimental PropertiesMW: 331.88. Crystals, decomposes 238 °C. Soluble in alcohol. /Hydrochloride/

物理化学的性質

融点
120 · 120-121°
沸点
460.9 · 460.9±45.0 °C(Predicted)
比重(密度)
1.079 · 1.079±0.06 g/cm3(Predicted)
酸解離定数(Pka)
13.49 · 13.49±0.29(Predicted)

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。

安全と保護具

Disposal Methods · 1 件

SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.

毒性情報

Antidote and Emergency Treatment · 3 件

/SRP:/ Immediate first aid: Ensure that adequate decontamination has been carried out. If patient is not breathing, start artificial respiration, preferably with a demand valve resuscitator, bag-valve-mask device, or pocket mask, as trained. Perform CPR if necessary. Immediately flush contaminated eyes with gently flowing water. Do not induce vomiting. If vomiting occurs, lean patient forward or place on the left side (head-down position, if possible) to maintain an open airway and prevent aspiration. Keep patient quiet and maintain normal body temperature. Obtain medical attention. /Poisons A and B/

/SRP:/ Basic treatment: Establish a patent airway (oropharyngeal or nasopharyngeal airway, if needed). Suction if necessary. Watch for signs of respiratory insufficiency and assist ventilations if needed. Administer oxygen by nonrebreather mask at 10 to 15 L/min. Monitor for pulmonary edema and treat if necessary ... . Monitor for shock and treat if necessary ... . Anticipate seizures and treat if necessary ... . For eye contamination, flush eyes immediately with water. Irrigate each eye continuously with 0.9% saline (NS) during transport ... . Do not use emetics. For ingestion, rinse mouth and administer 5 mL/kg up to 200 mL of water for dilution if the patient can swallow, has a strong gag reflex, and does not drool ... . Cover skin burns with dry sterile dressings after decontamination ... . /Poisons A and B/

/SRP:/ Advanced treatment: Consider orotracheal or nasotracheal intubation for airway control in the patient who is unconscious, has severe pulmonary edema, or is in severe respiratory distress. Positive-pressure ventilation techniques with a bag valve mask device may be beneficial. Consider drug therapy for pulmonary edema ... . Consider administering a beta agonist such as albuterol for severe bronchospasm ... . Monitor cardiac rhythm and treat arrhythmias as necessary ... . Start IV administration of D5W /SRP: "To keep open", minimal flow rate/. Use 0.9% saline (NS) or lactated Ringer's if signs of hypovolemia are present. For hypotension with signs of hypovolemia, administer fluid cautiously. Watch for signs of fluid overload ... . Treat seizures with diazepam or lorazepam ... . Use proparacaine hydrochloride to assist eye irrigation ... . /Poisons A and B/

Non-Human Toxicity ValuesLD50 MOUSE INTRAVENOUS 35 MG/KG /PRIDINOL HYDROCHLORIDE/

安全データ

毒性
LD50 intraperitoneal in mouse: 100mg/kg
有毒物質データの
511-45-5(Hazardous Substances Data)

化学と産業

薬理情報

ATC Code · 2 件

M - Musculo-skeletal system

QM - Musculo-skeletal system

用途と製造

Uses · 2 件

THERAP CAT: Antiparkinsonian; muscle relaxant (skeletal)

Use (kg; approx.) in Germany (2009): >10

Methods of Manufacturing · 2 件

Pridinol can be prepared by Grignard reaction of ethyl 3-piperidinopropionate with phenylmagnesium bromide.

May be prepared from ethyl 1-piperidinepropionate and phenylmagnesium bromide

Use ClassificationPharmaceuticals

上流・下流製品情報

上流原料

1,3-Propanediol, 1,1-diphenyl-1-フェニル-3-ピペリジノ-1-プロパノン1-ピペリジンプロピオン酸 エチル3-ピペリジノプロピオン酸メチルピペリジン2-ピペリジノエチルクロリドベンゾフェノンフェニルマグネシウムブロミド

サプライヤー25 社

LGM Pharma1-(800)-881-8210 · [email protected]
上海稳同科技有限公司02151600108 13062666369 · [email protected]
上海昶衍化工科技有限公司021-20242659 18930833303 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
韶远科技(上海)有限公司4000665055 · [email protected]
成都大道三灵生物科技有限公司18108108965 18108108965 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
南京博米尔生物科技有限公司025-83453382-8005 · [email protected]
上海林栎生物科技有限公司13761635123 · [email protected]
武汉弘德悦欣医药科技有限公司027-83850116 18164090116 · [email protected]
陕西爱施达尔生物科技有限公司18682931470; 18682931470 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
武汉峰耀同辉化学制品有限公司027-87466105 15377573527 · [email protected]
临沂艾泽拉斯生物科技有限公司17753923223 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
上海凯裕医药科技有限公司17317130613 · [email protected]
Accela ChemBio Inc.+1-858-6993322 +86-18019713315 · [email protected]
湖北玖天生物医药科技有限公司027-88013699 17354350817 · [email protected]
TargetMol中国(陶术生物)4008200310 15002144251 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
南京宁吉通医药生物科技有限公司0-19710401727 19710401727 · [email protected]
上海佰世凯生物科技有限公司021-20908456 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
TLC梯尔希(南京)药物研发有限公司18012923235 · [email protected]

補足説明

定義ChEBI: A piperidine substituted at position 1 by a 3-hydroxy-3,3-diphenylpropyl group.

関連反応

1 件
反応記録を作成
HRID 523861 の反応式
HRID 523861反応物としてuspto-grants-2016_05

化合物ノート

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