基本情報
- CAS
136112-01-1- 標準SMILES
CCC(=O)O[C@]1(C(=O)SCF)[C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C.OCc1cc(C(O)CNCCCCCCOCCCCc2ccccc2)ccc1O- InChIKey
YYAZJTUGSQOFHG-RZFXJYHSSA-N- 分子式
- C50H68F3NO9S
- 平均分子量
- 916.1 g/mol
- 単同位体質量
- 915.45668841
名称と識別子
- 優先名称
- Advair
- IUPAC
- [(6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-17-(fluoromethylsulfanylcarbonyl)-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate;2-(hydroxymethyl)-4-[1-hydroxy-2-[6-(4-phenylbutoxy)hexylamino]ethyl]phenol
- 英語名
- 2-(hydroxymethyl)-4-[1-hydroxy-2-[6-(4-phenylbutoxy)hexylamino]ethyl]phenol
- 分子式
- C50H68F3NO9S
- 分子量
- 0
名称と別名
AdvairRefChem:915195viani136112-01-1Fluticasone/salmeterolSCHEMBL3989orb1679082TP2406Q581334Advair DiskusAdoairSeretide
名称をさらに表示
Adoair DiskusFlutide DiskusSeretide AccuhalerSalMeterol-fluticasone propionate Mixt.SalMeterol Fluticasone Propionate Mixture[(6S,8S,10S,11S,13S,14S,16R)-6,9-difluoro-17-(fluoromethylsulfanylcarbonyl)-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate(6α,11β,16α,17α)-6,9-Difluoro-11-hydroxy-16-Methyl-3-oxo-17-(1-oxopropoxy)androsta-1,4-diene-17-carbothioic Acid S-(FluoroMethyl) Ester Mixture with 4-Hydroxy-α1-[[[6-(4-phenylbutoxy)hexyl]aMino]Methyl]-1,3-benzenediMethanol
データベース識別子
- CAS
物性
構造計算による物性
- 極性表面積
- 188 Ų
- 水素結合供与体数
- 5
- 水素結合受容体数
- 14
- 回転可能結合数
- 22
- 重原子数
- 64
- 形式電荷
- 0
- 複雑度
- 1,390
物理化学的性質
- InChI
- InChI=1S/C25H37NO4/c27-20-23-18-22(13-14-24(23)28)25(29)19-26-15-7-1-2-8-16-30-17-9-6-12-21-10-4-3-5-11-21/h3-5,10-11,13-14,18,25-29H,1-2,6-9,12,15-17,19-20H2
- InChIKey
- GIIZNNXWQWCKIB-UHFFFAOYSA-N
- SMILES
- C1(O)=CC=C(C(O)CNCCCCCCOCCCCC2=CC=CC=C2)C=C1CO
化学と産業
薬理情報
MeSH Pharmacological Classification
Agents that cause an increase in the expansion of a bronchus or bronchial tubes.
A group of CORTICOSTEROIDS that affect carbohydrate metabolism (GLUCONEOGENESIS, liver glycogen deposition, elevation of BLOOD SUGAR), inhibit ADRENOCORTICOTROPIC HORMONE secretion, and possess pronounced anti-inflammatory activity. They also play a role in fat and protein metabolism, maintenance of arterial blood pressure, alteration of the connective tissue response to injury, reduction in the number of circulating lymphocytes, and functioning of the central nervous system.
Drugs that mimic the effects of stimulating postganglionic adrenergic sympathetic nerves. Included here are drugs that directly stimulate adrenergic receptors and drugs that act indirectly by provoking the release of adrenergic transmitters.
応用分野
使用Salmeterol-fluticasone combination as Adoair, dry powder inhlaler/pressured metered-dose inhaler formulation for bronchial asthma, its benefit or demerits as device for inhalation drug delivery system in pharmacokinetics/pharmacodynamics at lung or peripheral bronchi, indications and usage of aerochamber, and clinical efficacy and safety in asthma control.
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