CAS No.53-33-8,Paramethasone Suppliers

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Basic Information

Molecular Structure:
CAS No.:	53-33-8
Name:	Paramethasone
Article Data:	9

Formula:	C₂₂H₂₉FO₅
Molecular Weight:	392.468
Synonyms:	Pregna-1,4-diene-3,20-dione,6a-fluoro-11b,17,21-trihydroxy-16-methyl-(7CI);Pregna-1,4-diene-3,20-dione, 6a-fluoro-11b,17,21-trihydroxy-16a-methyl- (8CI);16a-Methyl-6a-fluoroprednisolone;6a-Fluoro-11b,17a,21-trihydroxy-16a-methyl-1,4-pregnadiene-3,20-dione;6a-Fluoro-16a-methylprednisolone;Cortiden;Paramethasone;
EINECS:	200-169-2
Density:	1.32 g/cm³
Melting Point:	228-241°C
Boiling Point:	573.5 °C at 760 mmHg
Flash Point:	300.6 °C
PSA:	94.83000
LogP:	1.75160

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Specification

The Paramethasone with the CAS number 53-33-8 is also called Pregna-1,4-diene-3,20-dione,6-fluoro-11,17,21-trihydroxy-16-methyl-, (6a,11b,16a)-. The IUPAC name is (6S,8S,9S,10R,11S,13S,14S,16R,17R)-6-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one. Its EINECS registry number is 200-169-2. The molecular formula is C₂₂H₂₉FO₅.

The properties of the chemical are: (1)ACD/LogP: 1.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.53; (4)ACD/LogD (pH 7.4): 1.53; (5)ACD/BCF (pH 5.5): 8.57; (6)ACD/BCF (pH 7.4): 8.57; (7)ACD/KOC (pH 5.5): 161.94; (8)ACD/KOC (pH 7.4): 161.94; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 61.83 Å²; (13)Index of Refraction: 1.589; (14)Molar Refractivity: 100.18 cm³; (15)Molar Volume: 297 cm³; (16)Polarizability: 39.71×10^-24cm³; (17)Surface Tension: 55.8 dyne/cm; (18)Enthalpy of Vaporization: 98.71 kJ/mol; (19)Vapour Pressure: 1.53×10^-15 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C\1\C=C/[C@]4(/C(=C/1)[C@@H](F)C[C@@H]2[C@@H]4[C@@H](O)C[C@@]3([C@@](O)(C(=O)CO)[C@@H](C[C@@H]23)C)C)C
(2)InChI: InChI=1/C22H29FO5/c1-11-6-14-13-8-16(23)15-7-12(25)4-5-20(15,2)19(13)17(26)9-21(14,3)22(11,28)18(27)10-24/h4-5,7,11,13-14,16-17,19,24,26,28H,6,8-10H2,1-3H3/t11-,13+,14+,16+,17+,19-,20+,21+,22+/m1/s1
(3)InChIKey: MKPDWECBUAZOHP-AFYJWTTEBS