Fluticasone sulfenic acid propionate
PubChem CID
71587891
Structure
Molecular Formula
Synonyms
- Fluticasone sulfenic acid propionate
- 948566-12-9
- UNII-33UEQ4E893
- 33UEQ4E893
- DTXSID70241660
Molecular Weight
484.6 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
- Create:2013-07-08
- Modify:2025-01-11
Chemical Structure Depiction
[(6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-11-hydroxy-17-hydroxysulfanylcarbonyl-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C24H30F2O6S/c1-5-19(29)32-24(20(30)33-31)12(2)8-14-15-10-17(25)16-9-13(27)6-7-21(16,3)23(15,26)18(28)11-22(14,24)4/h6-7,9,12,14-15,17-18,28,31H,5,8,10-11H2,1-4H3/t12-,14+,15+,17+,18+,21+,22+,23+,24+/m1/s1
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
DNPGNKRLBBLSLN-CQRCZTONSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
CCC(=O)O[C@@]1([C@@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2C[C@@H](C4=CC(=O)C=C[C@@]43C)F)F)O)C)C)C(=O)SO
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C24H30F2O6S
Computed by PubChem 2.2 (PubChem release 2021.10.14)
948566-12-9
- Fluticasone sulfenic acid propionate
- 948566-12-9
- UNII-33UEQ4E893
- 33UEQ4E893
- DTXSID70241660
- Fluticasone 17b-Carbonylsulfenic Acid 17-Propionate
- FLUTICASONE PROPIONATE IMPURITY B [EP IMPURITY]
- ((6.ALPHA.,9-DIFLUORO-11.BETA.-HYDROXY-16.ALPHA.-METHYL-3-OXO-17-(PROPANOYLOXY)ANDROSTA-1,4-DIEN-17.BETA.-YL)CARBONYL)SULFENIC ACID
- 6.ALPHA.,9.ALPHA.-DIFLUORO-11.BETA.-HYDROXY-16.ALPHA.-METHYL-3-OXO-17.ALPHA.-PROPIONYLOXYANDROSTA-1,4-DIENE-17.BETA.-CARBONYLSULFENIC ACID
- ANDROSTA-1,4-DIENE-17-CARBO(THIOPEROXOIC) ACID, 6,9-DIFLUORO-11-HYDROXY-16-METHYL-3-OXO-17-(1-OXOPROPOXY)-, (6.ALPHA.,11.BETA.,16.ALPHA.,17.ALPHA.)
- FLUTICASONE PROPIONATE IMPURITY B (EP IMPURITY)
- Fluticasone Propionate Imp. B (EP); 6alpha,9-Difluoro-11beta-hydroxy-16alpha-methyl-3-oxo-17-(propanoyloxy)androsta-1,4-dien-17beta-carbo(thioperoxoic) SO-Acid; [[6alpha,9-Difluoro-11beta-hydroxy-16alpha-methyl-3-oxo-17-(propanoyloxy)androsta-1,4-dien-17beta-yl]carbonyl]sulphenic Acid
- DTXCID00164151
- Q27256297
- Fluticasone 17beta-Carbonylsulfenic Acid 17-Propionate
- ((6ALPHA,9-DIFLUORO-11BETA-HYDROXY-16ALPHA-METHYL-3-OXO-17-(PROPANOYLOXY)ANDROSTA-1,4-DIEN-17BETA-YL)CARBONYL)SULFENIC ACID
- 6ALPHA,9ALPHA-DIFLUORO-11BETA-HYDROXY-16ALPHA-METHYL-3-OXO-17ALPHA-PROPIONYLOXYANDROSTA-1,4-DIENE-17BETA-CARBONYLSULFENIC ACID
- ANDROSTA-1,4-DIENE-17-CARBO(THIOPEROXOIC) ACID, 6,9-DIFLUORO-11-HYDROXY-16-METHYL-3-OXO-17-(1-OXOPROPOXY)-, (6ALPHA,11BETA,16ALPHA,17ALPHA)
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
484.6 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
XLogP3
Property Value
2.6
Reference
Computed by XLogP3 3.0 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
2
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
9
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
5
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
484.17311617 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
484.17311617 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
126 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
33
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
967
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
9
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
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Same Connectivity Count
Same Parent, Connectivity Count
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
- ChemIDplusFluticasone sulfenic acid propionatehttps://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0948566129ChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- EPA DSSToxFluticasone sulfenic acid propionatehttps://comptox.epa.gov/dashboard/DTXSID70241660CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- FDA Global Substance Registration System (GSRS)LICENSEUnless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required.https://www.fda.gov/about-fda/about-website/website-policies#linkingFLUTICASONE SULFENIC ACID PROPIONATEhttps://gsrs.ncats.nih.gov/ginas/app/beta/substances/33UEQ4E893
- Wikidatafluticasone sulfenic acid propionatehttps://www.wikidata.org/wiki/Q27256297
- PubChemPFAS and Fluorinated Compounds in PubChemhttps://gitlab.com/uniluxembourg/lcsb/eci/pubchem-docs/-/raw/main/pfas-tree/PFAS_Tree.pdf?inline=false
CONTENTS