Basic information
- CAS
136112-01-1- Standard 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)C3(F)[C@@H](O)C[C@@]21C.OCc1cc(C(O)CNCCCCCCOCCCCc2ccccc2)ccc1O- InChIKey
YYAZJTUGSQOFHG-IAVNQIGZSA-N- Molecular formula
- C50H68F3NO9S
- Average molar mass
- 916.1 g/mol
- Monoisotopic mass
- 915.45668841
Overview
See also: Fluticasone Propionate (has component); Salmeterol Xinafoate (has component).
Names & identifiers
- Preferred name
- Fluticasone propionate; salmeterol xinafoate
- IUPAC
- [(6S,8S,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
- English name
- 2-(hydroxymethyl)-4-[1-hydroxy-2-[6-(4-phenylbutoxy)hexylamino]ethyl]phenol
- Molecular formula
- C50H68F3NO9S
- Molecular weight
- 0
Names & synonyms
AirDuo RespiClickAdvair Diskus 100/50Advair Diskus 250/50Advair Diskus 500/50Fluticasone propionate and salmeterol xinafoateWixela InhubAirDuo DigihalerADVAIRDISKUSRefChem:55223Fluticasone Propionate and SalmeterolFluticasone Propionate and Salmeterol HFAFluticasone propionate/salmeterol xinafoate
Show more names
Advair DiskusAdoairAdoair 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
Fluticasone Propionate and SalmeterolDISKUSFluticasone propionate; salmeterol xinafoateFLUTICASONE PROPIONATE;SALMETEROL XINAFOATESALMETEROL XINAFOATE/FLUTICASONE PROPIONATESALMETEROL XINAFOATE;FLUTICASONE PROPIONATESALMETEROL XINAFOATE / FLUTICASONE PROPIONATEFLUTICASONE PROPIONATE / SALMETEROL XINAFOATESeretide
Database identifiers
- CAS
136112-01-1- PubChem CID
- 56841124
Properties
Computed structural properties
- Topological polar surface area
- 188 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 22
- Heavy atoms
- 64
- Formal charge
- 0
- Complexity
- 1,390
Experimental & physicochemical properties
Human Drugs
EMA approved medicines: Human medicine
FDA approved drugs -> Active ingredient
Physicochemical properties
- 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
Chemistry & industry
Applications
UsesSalmeterol-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.
Suppliers5 total
凯试(上海)科技有限公司021-50135380 · [email protected]
北京百奥创新科技有限公司15522676233 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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