基本情報
- CAS
3385-03-3- 標準SMILES
CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1- InChIKey
XSFJVAJPIHIPKU-XWCQMRHXSA-N- 分子式
- C24H31FO6
- 平均分子量
- 434.5 g/mol
- 単同位体質量
- 434.21046687
概要
Flunisolide can cause developmental toxicity and female reproductive toxicity according to state or federal government labeling requirements.
名称と識別子
- 優先名称
- Flunisolide
- IUPAC
- (1S,2S,4R,8S,9S,11S,12S,13R,19S)-19-fluoro-11-hydroxy-8-(2-hydroxyacetyl)-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one
- 現地名
- フルニソリド
- 英語名
- Flunisolide
- 分子式
- C24H31FO6
- 分子量
- 434.5
名称と別名
flunisolide3385-03-3AerobidSyntarisFlunisolide anhydrousFlunisolidaNasalideNasarelAerospanFlunisolidumFlunisolide HemihydrateAerospan HFA
名称をさらに表示
フルニソリドシンタリスシナクリンルニスエロビド6α-フルオロ-11β,21-ジヒドロキシ-16α,17-(イソプロピリデンビスオキシ)プレグナ-1,4-ジエン-3,20-ジオン6α-フルオロ-11β,21-ジヒドロキシ-16α,17α-(イソプロピリデンビスオキシ)-1,4-プレグナジエン-3,20-ジオン6α-フルオロ-11β,21-ジヒドロキシ-16α,17α-(イソプロピリデンビスオキシ)プレグナ-1,4-ジエン-3,20-ジオンブロナリドナサリド6-フルオロ-11,21-ジヒドロキシ-16,17-(イソプロピリデンジオキシ)プレグナ-1,4-ジエン-3,20-ジオンフルニゾリド(1S,2S,4R,8S,9S,11S,12S,13R,19S)-19-フルオロ-11-ヒドロキシ-8-(2-ヒドロキシアセチル)-6,6,9,13-テトラメチル-5,7-ジオキサペンタシクロ[10.8.0.02,9.04,8.013,18]イコサ-14,17-ジエン-16-オン6-FLUORO-11,16ALPHA,17,21-TETRAHYDROXYPREGNA-1,4-DIENE-3,20-DIONE 16,17-ACETONIDELunisNisolidRS 3999
物性
構造計算による物性
- XLogP
- 2.5
- 極性表面積
- 93.1 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 7
- 回転可能結合数
- 2
- 重原子数
- 31
- 形式電荷
- 0
- 複雑度
- 910
実験および物理化学的性質
Drugs
Pharmaceuticals -> Listed in ZINC15
Pharmaceuticals -> Respiratory system -> Nasal preparations
LogP1.1
Solubility
Practically insoluble
3.74e-02 g/L
Human Drugs
Breast Feeding; Lactation; Milk, Human; Anti-Allergic Agents; Anti-Asthmatic Agents; Corticosteroids, Inhaled; Glucocorticoids; Anti-Inflammatory Agents
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
Pharmaceuticals
Melting Point
226-230
245 °C
Physical DescriptionSolid
Collision Cross Section
219.68 Ų [M+K]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
199.8 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
物理化学的性質
- 融点
- 237 · 237-240°C (dec.)
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
Danger
H300 (97.7%): Fatal if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 5 notifications to the ECHA C&L Inventory.
Danger
H300 (66.7%): Fatal if swallowed [Danger Acute toxicity, oral]
危険有害性情報
Regulatory InformationHazard Traits - Developmental Toxicity; Reproductive Toxicity
Hazard Classes and Categories
Acute Tox. 1 (97.7%)
Acute Tox. 1 (66.7%)
毒性情報
Effects During Pregnancy and Lactation◉ Summary of Use during Lactation
安全データ
- wgk
- 3
- rtecs
- TU3900000
- ridadr
- UN 2811 6.1 / PGI
- risk_code
- 28
- hazard_code
- T+
- safety_code
- 28-36/37-45
- Hazard Classifications
- Acute Tox. 1 Oral
- ストレージクラス
- 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
化学と産業
薬理情報
ATC Code
R - Respiratory system
R - Respiratory system
QR - Respiratory system
QR - Respiratory system
Protein BindingApproximately 40% after oral inhalation
Pharmacodynamics
Flunisolide is a synthetic corticosteroid. It is administered either as an oral metered-dose inhaler for the treatment of asthma or as a nasal spray for treating allergic rhinitis. Corticosteroids are naturally occurring hormones that prevent or suppress inflammation and immune responses. When given as an intranasal spray, flunisolide reduces watery nasal discharge (rhinorrhea), nasal congestion, postnasal drip, sneezing, and itching oat the back of the throat that are common allergic symptoms.
Mechanism of Action
Flunisolide is a glucocorticoid receptor agonist. The antiinflammatory actions of corticosteroids are thought to involve lipocortins, phospholipase A2 inhibitory proteins which, through inhibition arachidonic acid, control the biosynthesis of prostaglandins and leukotrienes. The immune system is suppressed by corticosteroids due to a decrease in the function of the lymphatic system, a reduction in immunoglobulin and complement concentrations, the precipitation of lymphocytopenia, and interference with antigen-antibody binding. Flunisolide binds to plasma transcortin, and it becomes active when it is not bound to transcortin.
Biological Half-Life1.8 hours
Metabolism/MetabolitesPrimarily hepatic, converted to the S beta-OH metabolite.
FDA Pharmacological Classification
78M02AA8KF
FLUNISOLIDE ANHYDROUS
Established Pharmacologic Class [EPC] - Corticosteroid
Mechanisms of Action [MoA] - Corticosteroid Hormone Receptor Agonists
Flunisolide anhydrous is a Corticosteroid. The mechanism of action of flunisolide anhydrous is as a Corticosteroid Hormone Receptor Agonist.
FLUNISOLIDE
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