塩酸モキシシリト
Moxisylyte Hydrochloride
基本情報
- CAS
964-52-3- 標準SMILES
CC(=O)Oc1cc(C(C)C)c(OCCN(C)C)cc1C.Cl- InChIKey
IPWGSXZCDPTDEH-UHFFFAOYSA-N- 分子式
- C16H26ClNO3
- 平均分子量
- 315.83 g/mol
- 単同位体質量
- 315.1601214
概要
Moxisylyte hydrochloride is a monoterpenoid.
名称と識別子
- 優先名称
- Moxisylyte Hydrochloride
- IUPAC
- [4-[2-(dimethylamino)ethoxy]-2-methyl-5-propan-2-ylphenyl] acetate;hydrochloride
- 現地名
- 塩酸モキシシリト
- 英語名
- Moxisylyte hydrochloride
- 分子式
- C16H26ClNO3
- 分子量
- 315.84
名称と別名
moxisylyte hydrochloride964-52-3Thymoxamine hydrochlorideMoxisylyte HClThymoxamine hclOpilonWK2KZM9V6XNSC-1704486-ACETOXYTHYMOL 2-(DIMETHYLAMINO)ETHYL ETHER, HYDROCHLORIDEDTXCID7026946Hydrochloride, MoxisylyteRefChem:926162
名称をさらに表示
酢酸5-イソプロピル-4-[2-(ジメチルアミノ)エトキシ]-2-メチルフェニル·塩酸塩3-[[2-アセチルアミノ-3-ヒドロキシ-1-オキソ-3-[4-(スルホオキシ)フェニル]プロピル]アミノ]-3-メトキシ-2-オキソ-1-アゼチジンスルホン酸抗生物質M-101塩酸モキシシリットモキシール抗生物質SQ-26970塩酸モキシシライトモキシル酢酸4-[2-(ジメチルアミノ)エトキシ]-5-イソプロピル-2-メチルフェニル·塩酸塩塩酸モキシシリトモキシシライト塩酸塩モキシシリト 塩酸塩塩酸モキシシリト (JAN)酢酸5-イソプロピル-4-[2-(ジメチルアミノ)エトキシ]-2-メチルフェニル・塩酸塩酢酸4-[2-(ジメチルアミノ)エトキシ]-5-イソプロピル-2-メチルフェニル・塩酸塩m-101MoxylSQ-26970EnfrentalcarlyteneNsc170448Antibiotic M-101opilonhydrochlorideAntibiotic SQ-26970
213-519-4DTXSID9046946Moxisylyte (hydrochloride)ArliteneMoxisylyte hydrochoride4-(2-(Dimethylamino)ethoxy)-5-isopropyl-2-methylphenyl acetate hydrochlorideVasoklinMFCD00079445
データベース識別子
- CAS
964-52-3- PubChem CID
- 6420039
- ChEMBL
CHEMBL1256739- ChEBI
CHEBI:31868- UNII
- WK2KZM9V6X
- EC Number
- 213-519-4
物性
構造計算による物性
- 極性表面積
- 38.8 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 4
- 回転可能結合数
- 7
- 重原子数
- 21
- 形式電荷
- 0
- 複雑度
- 304
実験および物理化学的性質
Solubility>47.4 [ug/mL] (The mean of the results at pH 7.4)
Collision Cross Section166.3 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
物理化学的性質
- 融点
- 208 · 208-210°
- 貯蔵温度
- Inert atmosphere,Room Temperature
- 溶解性
- 50 mg/mL · エタノール：可溶50mg/mL
- 外見
- 粉
- 色
- オフホワイト
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, 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
Other Safety InformationIMAP assessments - Phenol, 4-[2-(dimethylamino)ethoxy]-2-methyl-5-(1-methylethyl)-, acetate (ester), hydrochloride: Environment tier I assessment
Hazard Classes and CategoriesAcute Tox. 4 (100%)
安全データ
- wgk
- 3
- rtecs
- FI1600000
- 毒性
- LD50 in mice, rats (mg/kg): 265 ±19, 740 ±51 orally; 200 ±15, 190 ±19 s.c. (Roquebert, Canellas)
- risk_code
- 20/21/22
- hazard_code
- Xn
- safety_code
- 36
化学と産業
薬理情報
MeSH Pharmacological Classification
Drugs that bind to but do not activate alpha-adrenergic receptors thereby blocking the actions of endogenous or exogenous adrenergic agonists. Adrenergic alpha-antagonists are used in the treatment of hypertension, vasospasm, peripheral vascular disease, shock, and pheochromocytoma.
Agents causing contraction of the pupil of the eye. Some sources use the term miotics only for the parasympathomimetics but any drug used to induce miosis is included here.
Drugs that inhibit the actions of the sympathetic nervous system by any mechanism. The most common of these are the ADRENERGIC ANTAGONISTS and drugs that deplete norepinephrine or reduce the release of transmitters from adrenergic postganglionic terminals (see ADRENERGIC AGENTS). Drugs that act in the central nervous system to reduce sympathetic activity (e.g., centrally acting alpha-2 adrenergic agonists, see ADRENERGIC ALPHA-AGONISTS) are included here.
Drugs used to cause dilation of the blood vessels.
応用分野
使用Moxisylyte Hydrochloride is α1-adrenoceptor antagonists.
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