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1597-82-6

Basic Information
CAS No.: 1597-82-6
Name: PARAMETHASONE ACETATE (200 MG)
Molecular Structure:
Molecular Structure of 1597-82-6 (PARAMETHASONE ACETATE (200 MG))
Formula: C24H31 F O6
Molecular Weight: 434.505
Synonyms: Pregna-1,4-diene-3,20-dione,6a-fluoro-11b,17,21-trihydroxy-16a-methyl-, 21-acetate(6CI,7CI,8CI); 16a-Methyl-6a-fluoroprednisolone 21-acetate;21-Acetoxy-6a-fluoro-11b,17-dihydroxy-16a-methylpregna-1,4-diene-3,20-dione;21-Acetyl-6a-fluoro-16a-methylprednisolone; 6a-Fluoro-11b,17,21-trihydroxy-16a-methylpregna-1,4-diene-3,20-dione21-acetate; 6a-Fluoro-16a-methylprednisolone 21-acetate;Alondra; Cortidene; Dilar; Dillar; Flumethone; Haldrate; Haldrone; Metilar;Monocortin; Paramethasone 21-acetate; Paramethasone acetate; Paramezone;Stemex; Syntecort
EINECS: 216-486-4
Density: 1.29 g/cm1.29 g/cm3
Melting Point: 228-241° (dec)
Boiling Point: 584.2 °C at 760 mmHg
Flash Point: 307.1 °C
Safety: Poison by intraperitoneal route. An experimental teratogen. When heated to decomposition it emits toxic fumes of F.
PSA: 100.90000
LogP: 2.32240
Synthetic route
1524-93-2

21-acetoxy-6α-fluoro-11β,17-dihydroxy-16α-methyl-pregn-4-ene-3,20-dione

1597-82-6

paramethasone acetate

Conditions
ConditionsYield
With selenium(IV) oxide
3862-45-1

21-acetoxy-3,3-ethanediyldioxy-6β-fluoro-16α-methyl-5α-pregn-17(20)t-ene-5,11β-diol

1597-82-6

paramethasone acetate

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 4-methyl-morpholine; H2O2; OsO4 / anschliessend mit HCl in CHCl3 und Aethanol
2: SeO2
View Scheme

chromium chloride hexahydrate

9α-Bromo-6α-fluoro-11β,17α,21-trihydroxy-16α-methylpregna-1,4-diene-3,20-dione 21-acetate

1597-82-6

paramethasone acetate

Conditions
ConditionsYield
With zinc In tetrahydrofuran; dichloromethane; water; N,N-dimethyl-formamide; acetone
1597-82-6

paramethasone acetate

2823-42-9

6α,9α-difluoro-11β,17α-dihydroxy-16α-methyl-21-acetoxypregna-1,4-diene-3,20-dione

Conditions
ConditionsYield
ueber mehrere Stufen;
Downstream Products
2823-42-9
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Chemistry

Molecule structure of Paramethasone acetate (CAS NO.1597-82-6):

IUPAC Name: [2-[(6S,8S,9S,10R,11S,13S,14S,16R,17R)-6-Fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate 
Molecular Weight: 434.497743 g/mol
Molecular Formula: C24H31FO6 
Density: 1.29 g/cm3 
Boiling Point: 584.2 °C at 760 mmHg 
Flash Point: 307.1 °C
Index of Refraction: 1.569
Molar Refractivity: 109.76 cm3
Molar Volume: 334.8 cm3
Polarizability: 43.51×10-24 cm3
Surface Tension: 52.3 dyne/cm 
Enthalpy of Vaporization: 100.22 kJ/mol
Vapour Pressure: 4.42E-16 mmHg at 25 °C
XLogP3: 2.5
H-Bond Donor: 2
H-Bond Acceptor: 7
Rotatable Bond Count: 4
Tautomer Count: 2
Exact Mass: 434.210467
MonoIsotopic Mass: 434.210467
Topological Polar Surface Area: 101
Heavy Atom Count: 31
Complexity: 895
Defined Atom StereoCenter Count: 9
Canonical SMILES: CC1CC2C3CC(C4=CC(=O)C=CC4(C3C(CC2(C1(C(=O)COC(=O)C)O)C)O)C)F
Isomeric SMILES: C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@H]3[C@H](C[C@@]2([C@]1(C(=O)COC(=O)C)O)C)O)C)F
InChI: InChI=1S/C24H31FO6/c1-12-7-16-15-9-18(25)17-8-14(27)5-6-22(17,3)21(15)19(28)10-23(16,4)24(12,30)20(29)11-31-13(2)26/h5-6,8,12,15-16,18-19,21,28,30H,7,9-11H2,1-4H3/t12-,15+,16+,18+,19+,21-,22+,23+,24+/m1/s1
InChIKey: HYRKAAMZBDSJFJ-LFDBJOOHSA-N
EINECS of Paramethasone acetate (CAS NO.1597-82-6): 216-486-4

Toxicity Data With Reference

1.    

ipr-rat LD50:392 mg/kg

    TXAPA9    Toxicology and Applied Pharmacology. 18 (1971),185.

Safety Profile

Poison by intraperitoneal route. An experimental teratogen. When heated to decomposition it emits toxic fumes of F.

Specification

 Paramethasone acetate (CAS NO.1597-82-6) is also called 16-alpha-Methyl-6-alpha-fluoro-prednisolone-21-acetate ; 21-Acetyl-6-alpha-fluoro-16-alpha-methylprednisolone ; 6-alpha-Fluoro-16-alpha-methylprednisolone 21-acetate ; 6alpha-Fluoro-11beta,17,21-trihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione 21-acetate ; Acetate de paramethasone ; Alondra ; Cortidene ; Dilar ; Haldrate ; Haldrone ; Monocortin ; Paramethasone 21-acetate ; Sintecort ; Stemex ; UNII-8X50N88ZDP .