シクロヘキシル(3-ピペリジノプロピル)フェニルシラノール

Hexahydrosiladifenidol

HCID 3602CAS 98299-40-2

部分構造検索類似構造を探す

基本情報

標準SMILES: O[Si](CCCN1CCCCC1)(c1ccccc1)C1CCCCC1
InChIKey: QTBCATBNRIYMPB-UHFFFAOYSA-N
分子式: C20H33NOSi
平均分子量: 331.6 g/mol
単同位体質量: 331.23314121

名称と識別子

優先名称: Hexahydrosiladifenidol
IUPAC: cyclohexyl-hydroxy-phenyl-(3-piperidin-1-ylpropyl)silane
現地名: シクロヘキシル(3-ピペリジノプロピル)フェニルシラノール
英語名: hexahydrosiladifenidol
分子式: C20H33NOSi
分子量: 331.57

名称と別名

hexahydrosiladifenidolHhsi-difenidolHHSiDHexahydro-sila-diphenidol98299-40-2cyclohexyl-hydroxy-phenyl-(3-piperidin-1-ylpropyl)silaneLXZ2G00X0WSilanol, cyclohexylphenyl(3-(1-piperidinyl)propyl)-hexahydrosiladiphenidolRefChem:146060cyclohexyl(phenyl)[3-(piperidin-1-yl)propyl]silanolGNF-Pf-5565

名称をさらに表示

シクロヘキシル(3-ピペリジノプロピル)フェニルシラノールシクロヘキシルフェニル[3-(1-ピペリジニル)プロピル]シラノールフェニルシクロヘキシル(3-ピペリジノプロピル)シラノールヘキサヒドロシラジフェニドールシクロヘキシル(フェニル)[3-(ピペリジン-1-イル)プロピル]シラノールHexahydro-sila-difenidol hydrochlorideCyclohexyl(3-piperidinopropyl)phenylsilanolCyclohexylphenyl(3-piperidinopropyl)silanolPhenylcyclohexyl(3-piperidinopropyl)silanolCyclohexylphenyl-(3-N-piperidinopropyl)silanolCyclohexylphenyl[3-(1-piperidinyl)propyl]silanolSilanol, 1-cyclohexyl-1-phenyl-1-[3-(1-piperidinyl)propyl]-

cyclohexyl(phenyl)(3-(piperidin-1-yl)propyl)silanolUNII-LXZ2G00X0WDTXSID20913340GTPL310CHEMBL3545990SCHEMBL21530611BDBM81799NSC_3602

データベース識別子

CAS: 98299-40-2
PubChem CID: 3602
DTXSID: DTXSID20913340
ChEMBL: CHEMBL3545990
UNII: LXZ2G00X0W
EC Number: 635-538-0
Nikkaji: J128.591B

物性

構造計算による物性

極性表面積: 23.5 Å²
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: 6
重原子数: 23
形式電荷: 0
複雑度: 333

物理化学的性質

沸点: 449.7 · 449.7±37.0 °C(Predicted)
比重(密度): 1.03 · 1.03±0.1 g/cm3(Predicted)
酸解離定数(Pka): 13.91 · 13.91±0.20(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 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

Hazard Classes and CategoriesAcute Tox. 4 (100%)

安全データ

risk_code: 20/21/22
hazard_code: Xn
safety_code: 36

化学と産業

薬理情報

MeSH Pharmacological Classification · 2 件

Agents that inhibit the actions of the parasympathetic nervous system. The major group of drugs used therapeutically for this purpose is the MUSCARINIC ANTAGONISTS.

Drugs that bind to but do not activate MUSCARINIC RECEPTORS, thereby blocking the actions of endogenous ACETYLCHOLINE or exogenous agonists. Muscarinic antagonists have widespread effects including actions on the iris and ciliary muscle of the eye, the heart and blood vessels, secretions of the respiratory tract, GI system, and salivary glands, GI motility, urinary bladder tone, and the central nervous system.

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