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3385-03-3 分子结构
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(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

ChemBase编号:65
分子式:C24H31FO6
平均质量:434.4977432
单一同位素质量:434.21046693
SMILES和InChIs

SMILES:
F[C@H]1C[C@H]2[C@H]3[C@@]([C@@]4(OC(O[C@@H]4C3)(C)C)C(=O)CO)(C[C@H](O)[C@@H]2[C@@]2(C1=CC(=O)C=C2)C)C
Canonical SMILES:
OCC(=O)[C@@]12OC(O[C@@H]1C[C@@H]1[C@]2(C)C[C@H](O)[C@H]2[C@H]1C[C@@H](C1=CC(=O)C=C[C@]21C)F)(C)C
InChI:
InChI=1S/C24H31FO6/c1-21(2)30-19-9-14-13-8-16(25)15-7-12(27)5-6-22(15,3)20(13)17(28)10-23(14,4)24(19,31-21)18(29)11-26/h5-7,13-14,16-17,19-20,26,28H,8-11H2,1-4H3/t13-,14-,16-,17-,19+,20+,22-,23-,24+/m0/s1
InChIKey:
XSFJVAJPIHIPKU-XWCQMRHXSA-N

引用这个纪录

CBID:65 http://www.chembase.cn/molecule-65.html

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名称和登记号

名称和登记号

名称 登记号
IUPAC标准名
(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
(1S,2S,4R,8S,9S,11S,12S,13R,19S)-19-fluoro-11-hydroxy-8-(2-hydroxyacetyl)-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosa-14,17-dien-16-one
IUPAC传统名
soluzione
flunisolide
商标名
Aerobid
Bronalide
Lunis
Nasalide
Nasarel
Rhinalar
Synaclyn
Syntaris
别名
(6α,11β,16α)-6-Fluoro-11,21-dihydroxy-16,17-[(1-methylethylidene)bis(oxy)]pregna-1,4-diene-3,20-dione
6α-Fluoro-11β,21-dihydroxy-16α,17α-(isopropylidenedioxy)pregna-1,4-diene-3,20-dione
Aerobid M
Bronalide
Lunis
Nisolid
RS 3999
Rhinalar
Soluzione
Synaclyn
Syntaris
Flunisolide [anhydrous]
flunisolide
Flunisolide
AeroBid
Nasalide
Nasarel
CAS号
3385-03-3
PubChem SID
160963528
46507894
PubChem CID
82153

数据来源

数据来源

所有数据来源 商品来源 非商品来源

理论计算性质

理论计算性质

JChem ALOGPS 2.1
Acid pKa 13.726746  质子受体
质子供体 LogD (pH = 5.5) 1.5607916 
LogD (pH = 7.4) 1.5607915  Log P 1.5607916 
摩尔折射率 111.8852 cm3 极化性 43.367012 Å3
极化表面积 93.06 Å2 可自由旋转的化学键
里宾斯基五规则 true 
Log P 2.2  LOG S -4.07 
溶解度 3.74e-02 g/l 

分子性质

分子性质

理化性质 安全信息 产品相关信息 生物活性(PubChem)
溶解度
Chloroform expand 查看数据来源
Methanol expand 查看数据来源
Practically insoluble expand 查看数据来源
外观
White Solid expand 查看数据来源
熔点
237-240°C (dec.) expand 查看数据来源
疏水性(logP)
1.1 expand 查看数据来源
保存条件
-20°C expand 查看数据来源
Refrigerator expand 查看数据来源
MSDS下载
下载链接 expand 查看数据来源
成盐信息
Free Base expand 查看数据来源
质检报告
下载链接 expand 查看数据来源

详细说明

详细说明

DrugBank DrugBank Selleck Chemicals Selleck Chemicals TRC TRC
DrugBank -  DB00180 external link
Item Information
Drug Groups approved; investigational
Description Flunisolide (marketed as AeroBid, Nasalide, Nasarel) is a corticosteroid often prescribed as treatment for allergic rhinitis.

The principle mechanism of action of flunisolide is to activate glucocorticoid receptors. It also has anti-inflammatory action.
Indication For the maintenance treatment of asthma as a prophylactic therapy.
Pharmacology 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.
Affected Organisms
Humans and other mammals
Biotransformation Primarily hepatic, converted to the S beta-OH metabolite.
Absorption Absorbed rapidly
Half Life 1.8 hours
Protein Binding Approximately 40% after oral inhalation
External Links
Wikipedia
RxList
PDRhealth
Drugs.com
Selleck Chemicals -  S1513 external link
Research Area: Inflammation
Biological Activity:
Flunisolide (AeroBid, Nasalide, Nasarel) is a corticosteroid often prescribed as treatment for allergic rhinitis. The principal mechanism of action of Flunisolide is to activate glucocorticoid receptors. It also has anti-inflammatory action. [1]
Toronto Research Chemicals -  F500485 external link
Synthetic fluorinated corticosteroid related to Prednisolone (P703740). Antiasthmatic.

参考文献

参考文献

供应商提供 Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • http://en.wikipedia.org/wiki/Flunisolide
  • Chu, N.I., et al.: Drug Metab. Dispos., 7, 81 (1979)
  • Pakes, G.E., et al.: Drugs, 19, 397 (1979)
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专利

专利

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