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アニソダミン臭化水素酸塩

Anisodamine hydrobromide

HCID 118856046
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基本情報

CAS
55449-49-5
標準SMILES
Br.CN1[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@@H](O)C2
InChIKey
KMYQCELRVANQNG-YXGOVGSCSA-N
分子式
C17H24BrNO4
平均分子量
386.3 g/mol
単同位体質量
385.08887

名称と識別子

優先名称
Anisodamine hydrobromide
IUPAC
[(1R,3S,5R,6S)-6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2S)-3-hydroxy-2-phenylpropanoate;hydrobromide
現地名
アニソダミン臭化水素酸塩
英語名
Anisodamine hydrobromide
分子式
C7H10BrNO
分子量
204.0644

名称と別名

anisodamine hydrobromide55449-49-54RKP5CSA1O(-)-6-Hydroxyhyoscyamine hydrobromideHyoscyamine, 6-hydroxy-, hydrobromideL-Tropic acid, 6beta-hydroxy-3alpha-tropanyl ester, hydrobromideBenzeneacetic acid, alpha-(hydroxymethyl)-, (1R,3S,5R,6S)-6-hydroxy-8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, hydrobromide (1:1), (alphaS)-Benzeneacetic acid, alpha-(hydroxymethyl)-, (1R,3S,5R,6S)-6-hydroxy-8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, hydrobromide, (alphaS)-Benzeneacetic acid, alpha-(hydroxymethyl)-, 6-hydroxy-8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, hydrobromide, (1R-(1alpha,3beta(S*),5alpha,6alpha))-RefChem:112833Anisodamine (hydrobromide)Anisodamine hydrobromide [WHO-DD]
名称をさらに表示
アニソダミン臭化水素酸塩Anisodamine hydrobromide-RMANISODAMINE HYDROBROMIDE USP/EP/BPAnisodamine Hydrobromide (Standard)
[(1R,3S,5R,6S)-6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2S)-3-hydroxy-2-phenylpropanoate;hydrobromideAnisodamine HBrUNII-4RKP5CSA1OHY-N0584ARorb1685393orb3140490CHEMBL5483037HY-N0584A

データベース識別子

CAS
55449-49-5
PubChem CID
118856046
ChEMBL
CHEMBL5483037
UNII
4RKP5CSA1O
EC Number
683-205-3

物性

構造計算による物性

極性表面積
70 Ų
水素結合供与体数
3
水素結合受容体数
5
回転可能結合数
5
重原子数
23
形式電荷
0
複雑度
396

物理化学的性質

融点
176 · 176-178 °C
外見
Solid
色
White to off-white

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 · 4 件

Danger

H300+H330 (50%): Fatal if swallowed or if inhaled [Danger Acute toxicity, oral; acute toxicity, inhalation]

P260, P264, P270, P271, P284, P301+P316, P304+P340, P316, P320, P321, P330, P403+P233, P405, 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

Hazard Classes and CategoriesAcute Tox. 2 (100%)

安全データ

危険有害性情報
コード 危険有害性情報 危険有害性クラス 区分 注意喚起語 シンボル P コード H300

化学と産業

薬理情報

MeSH Pharmacological Classification · 6 件

Drugs that selectively bind to and activate alpha adrenergic receptors.

Agents used for the treatment or prevention of cardiac arrhythmias. They may affect the polarization-repolarization phase of the action potential, its excitability or refractoriness, or impulse conduction or membrane responsiveness within cardiac fibers. Anti-arrhythmia agents are often classed into four main groups according to their mechanism of action: sodium channel blockade, beta-adrenergic blockade, repolarization prolongation, or calcium channel blockade.

Anti-inflammatory agents that are non-steroidal in nature. In addition to anti-inflammatory actions, they have analgesic, antipyretic, and platelet-inhibitory actions. They act by blocking the synthesis of prostaglandins by inhibiting cyclooxygenase, which converts arachidonic acid to cyclic endoperoxides, precursors of prostaglandins. Inhibition of prostaglandin synthesis accounts for their analgesic, antipyretic, and platelet-inhibitory actions; other mechanisms may contribute to their anti-inflammatory effects.

Various agents with different action mechanisms used to treat or ameliorate PEPTIC ULCER or irritation of the gastrointestinal tract. This has included ANTIBIOTICS to treat HELICOBACTER INFECTIONS; HISTAMINE H2 ANTAGONISTS to reduce GASTRIC ACID secretion; and ANTACIDS for symptomatic relief.

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 used to cause dilation of the blood vessels.

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