Basic information
- Name:
Fluticasone propionate
- CAS No.:
80474-14-2
- Molecular Structure:
- Formula:
- C25H31F3O5S
- Molecular Weight:
- 500.57
- Synonyms:
- AtemurMite;Cutivate;Cutivate cream;Cyclesonide;Flixonase;FlixonaseNasal Spray;Flixotide;Flixotide Disk;Flixotide Disks;Flixotide Inhaler;Flonase;Flonase Aq;Flovent;Flovent Diskus;Flunase;Fluticasone17-propionate;
- Density:
- 1.32 g/cm3
- Melting Point:
- 275 °C
- Boiling Point:
- 568.3 °C at 760 mmHg
- Flash Point:
- 297.5 °C
- Solubility:
- DMSO: ≥10 mg/mL
- Appearance:
- Crystalline solid
- Safety Description:
- 22-24/25 Details
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Chemistry
IUPAC Name: [(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
Synonyms of Fluticasone propionate (CAS NO.80474-14-2): 6a,11b,16a,17a)-6,9-Difluoro-11-hydroxy-16-methyl-3-oxo-17-(1-oxopropoxy)androsta-1,4-diene-17-carbothioic Acid S-(Fluoromethyl) Ester ; (6alpha,11beta,16alpha,17alpha)-6,9-difluoro-17-{[(fluoromethyl)sulfanyl]carbonyl}-11-hydroxy-16-methyl-3-oxoandrosta-1,4-dien-17-yl propanoate
Molecular Structure : 
Molecular Formula: C25H31F3O5S
Molecular Weight: 500.57
CAS NO: 80474-14-2
Mol File: 80474-14-2.mol
Merck : 4211
H bond acceptors: 5
H bond donors: 1
Freely Rotating Bonds: 7
Polar Surface Area: 94.97 Å2
Index of Refraction: 1.555
Molar Refractivity: 121.14 cm3
Molar Volume: 377 cm3
Index of Refraction: 1.555
Surface Tension: 48 dyne/cm
Density: 1.32 g/cm3
Flash Point: 297.5 °C
Melting Point: 275 °C
Enthalpy of Vaporization: 97.97 kJ/mol
Boiling Point: 568.3 °C at 760 mmHg
Vapour Pressure: 2.79E-15 mmHg at 25°C
Solubility: DMSO: ≥10 mg/mL
Appearance :Crystalline Solid
SMILES: O=C(SCF)[C@]3(OC(=O)CC)[C@]2(C[C@H](O)[C@]4(F)[C@@]/1(\C(=C/C(=O)\C=C\1)[C@@H](F)CC4[C@@H]2C[C@H]3C)C)C
InChI: InChI=1/C25H31F3O5S/c1-5-20(31)33-25(21(32)34-12-26)13(2)8-15-16-10-18(27)17-9-14(29)6-7-22(17,3)24(16,28)19(30)11-23(15,25)4/h6-7,9,13,15-16,18-19,30H,5,8,10-12H2,1-4H3/t13-,15+,16?,18+,19+,22+,23+,24+,25+/m1/s1
InChIKey: WMWTYOKRWGGJOA-ZHLGSTKJBY
Std. InChI: InChI=1S/C25H31F3O5S/c1-5-20(31)33-25(21(32)34-12-26)13(2)8-15-16-10-18(27)17-9-14(29)6-7-22(17,3)24(16,28)19(30)11-23(15,25)4/h6-7,9,13,15-16,18-19,30H,5,8,10-12H2,1-4H3/t13-,15+,16?,18+,19+,22+,23+,24+,25+/m1/s1
Std. InChIKey: WMWTYOKRWGGJOA-ZHLGSTKJSA-N
Product Categories of Fluticasone propionate (CAS NO.80474-14-2): Biochemistry;Hydroxyketosteroids;Steroids;Intermediates & Fine Chemicals;Pharmaceuticals;Fluticasone
Uses
Fluticasone propionate (CAS NO.80474-14-2) is used as antiallergic and anti inflammatory.
Production
Compounds (Ⅰ) first react with N, N-Dimethyl formamide thio chloride, and then hydrolysis ,obtaining thio-carboxylic acid (Ⅱ), and then, esterification with Bromo - fluoro-methane, Fluticasone propionate is derived.
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rat | LC | inhalation | > 40770ug/m3/1 (40.77mg/m3) | CARDIAC: CHANGES IN HEART WEIGHT | Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 20, Pg. 1501, 1992. |
| rat | LD50 | oral | > 2gm/kg (2000mg/kg) | Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 20, Pg. 1493, 1992. | |
| rat | LD50 | subcutaneous | > 1gm/kg (1000mg/kg) | ENDOCRINE: OTHER CHANGES BLOOD: "CHANGES IN SERUM COMPOSITION (E.G., TP, BILIRUBIN, CHOLESTEROL)" | Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. |
Safety Profile
Safety Statements: 22-24/25
S22: Do not breathe dust.
S24/25: Avoid contact with skin and eyes.
WGK Germany: 2
RTECS: BV7980000