6alpha,9-Difluoro-17-(((fluoromethyl)sulfanyl)carbonyl)-16alpha-methyl-3,11-dioxoandrosta-1,4-dien-17alpha-yl propanoate
Basic information
- CAS
1219174-94-3- 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)[C@@]3(F)C(=O)C[C@@]21C- InChIKey
RGGLGWLQXMGICO-HOERUVBCSA-N- Molecular formula
- C25H29F3O5S
- Average molar mass
- 498.6 g/mol
- Monoisotopic mass
- 498.16877968
Names & identifiers
- Preferred name
- 6alpha,9-Difluoro-17-(((fluoromethyl)sulfanyl)carbonyl)-16alpha-methyl-3,11-dioxoandrosta-1,4-dien-17alpha-yl propanoate
- IUPAC
- [(6S,8S,9R,10S,13S,14S,16R,17R)-6,9-difluoro-17-(fluoromethylsulfanylcarbonyl)-10,13,16-trimethyl-3,11-dioxo-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl] propanoate
- English name
- 11-Oxo Fluticasone Propionate
- Molecular formula
- C25H29F3O5S
- Molecular weight
- 498.56
Names & synonyms
1219174-94-3UNII-XO35CTG0YCXO35CTG0YC6alpha,9-Difluoro-17-(((fluoromethyl)sulfanyl)carbonyl)-16alpha-methyl-3,11-dioxoandrosta-1,4-dien-17alpha-yl propanoateDTXSID60153440FLUTICASONE PROPIONATE IMPURITY F [EP IMPURITY]6.ALPHA.,9-DIFLUORO-17-(((FLUOROMETHYL)SULFANYL)CARBONYL)-16.ALPHA.-METHYL-3,11-DIOXOANDROSTA-1,4-DIEN-17.ALPHA.-YL PROPANOATEANDROSTA-1,4-DIENE-17-CARBOTHIOIC ACID, 6,9-DIFLUORO-16-METHYL-3,11-DIOXO-17-(1-OXOPROPOXY)-, S-(FLUOROMETHYL) ESTER, (6ALPHA,16ALPHA,17ALPHA)-FLUTICASONE PROPIONATE IMPURITY F (EP IMPURITY)RefChem:105320DTXCID1075931ANDROSTA-1,4-DIENE-17-CARBOTHIOIC ACID, 6,9-DIFLUORO-16-METHYL-3,11-DIOXO-17-(1-OXOPROPOXY)-, S-(FLUOROMETHYL) ESTER, (6.ALPHA.,16.ALPHA.,17.ALPHA.)-
Show more names
Propionate Impurity FFlutica Impurity FFluticasone EP Imp FRGGLGWLQXMGICO-HOERUVBCSA-N11-Ketofluticasone Propionate(6S,8S,9R,10S,13S,14S,16R,17R)
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 1,030
Physicochemical properties
- Melting point
- 206 · 206 - 208°C
- Boiling point
- 562.4 · 562.4±50.0 °C(Predicted)
- Density
- 1.32 · 1.32±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- Acetonitrile (Slightly), Chloroform (Slightly), Ethyl Acetate (Slightly), Methan
- form
- Solid
- color
- White to Off-White
- Major Application
- pharmaceutical
- FDA UNII
- 35 CTG0YC · XO35CTG0YC
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 7 · GHS07,GHS08
- Signal word
- Danger
- Hazard statements
- 312 · H312-H332-H334-H360-H302-H317
- Precautionary statements
- 261 · P261-P285-P304+P341-P342+P311-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501-P261-P271-P304+P340-P312
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P233, P260, P261, P264, P270, P271, P272, P280, P284, P301+P317, P302+P352, P304+P340, P317, P318, P321, P330, P333+P317, P342+P316, P362+P364, P403, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- WGK 3
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS08
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H312-H332-H334-H360-H302-H317
- Precautionary statements
- P261-P285-P304+P341-P342+P311-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501-P261-P271-P304+P340-P312
Chemistry & industry
Applications
Uses11-Oxo Fluticasone Propionate is an impurity of Fluticasone Propionate (F599500), a derivative of Flumethasone (F455000). An antiallergic; anti-asthmatic; anti-inflammatory.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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