Name: FLUTICASONE PROPIONATE, 17-BETA CARBOXYLIC ACID
SKU: 65429-42-7

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Basic Information

Molecular Structure:
CAS No.:	65429-42-7
Name:	FLUTICASONE PROPIONATE, 17-BETA CARBOXYLIC ACID
Article Data:	14

Formula:	C₂₄H₃₀F₂O₆
Molecular Weight:	452.495
Synonyms:	FLUTICASONE PROPIONATE, 17-BETA CARBOXYLIC ACID;6a,9a-difluoro-l1~-hydroxy-l6a-methyl-l7apropionyloxy-3-oxoandrosta-l,4-diene-l7~-carboxyliacc id;(6a,11b,16a,17a)-6,9-Difluoro-11-hydroxy-16-methyl-3-oxo-17-(1-oxopropoxy)androsta-1,4-diene-17-carboxylic acid;Fluticasone 17β-Carboxylic Acid Propionate;(6α,11β,16α,17α)-6,9-Difluoro-11-hydroxy-16-Methyl-3-oxo-17-(1-oxopropoxy)-androsta-1,4-diene-17-carboxylic Acid;Fluticasone EP IMpurity A;Androsta-1,4-diene-17- carboxylic acid, 6,9-difluoro-11- hydroxy-16-Methyl-3-oxo-17-(1-oxopropoxy)-,(6α,11β,16α,17α)-
Density:	1.333 g/cm³
Melting Point:	219-220 °C
Boiling Point:	577.645 °C at 760 mmHg
Flash Point:	303.149 °C
PSA:	100.90000
LogP:	3.32780

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Specification

The (6α,11β,16α,17α)-6,9-Difluoro-11-hydroxy-16-methyl-3-oxo-17-(1-oxopropoxy)androsta-1,4-diene-17-carboxylic acid is an organic compound with the formula C₂₄H₃₀F₂O₆. The systematic name of this chemical is (6alpha,11beta,16alpha,17alpha)-6,9-difluoro-11-hydroxy-16-methyl-3-oxo-17-(propanoyloxy)androsta-1,4-diene-17-carboxylic acid. With the CAS registry number 65429-42-7, it is also named as androsta-1,4-diene-17-carboxylic acid, 6,9-difluoro-11-hydroxy-16-methyl-3-oxo-17-(1-oxopropoxy)-, (6α,11β,16α,17α)-.

Physical properties about (6α,11β,16α,17α)-6,9-Difluoro-11-hydroxy-16-methyl-3-oxo-17-(1-oxopropoxy)androsta-1,4-diene-17-carboxylic acid are: (1)ACD/LogP: 2.07; (2)ACD/LogD (pH 7.4): -1; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 6; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 100.9 Å²; (11)Index of Refraction: 1.561; (12)Molar Refractivity: 109.918 cm³; (13)Molar Volume: 339.547 cm³; (14)Polarizability: 43.575×10^-24cm³; (15)Surface Tension: 51.161 dyne/cm; (16)Density: 1.333 g/cm³; (17)Flash Point: 303.149 °C; (18)Enthalpy of Vaporization: 99.292 kJ/mol; (19)Boiling Point: 577.645 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O[C@@]3(C(=O)O)[C@]2(C[C@H](O)[C@]4(F)[C@@]/1(\C(=C/C(=O)\C=C\1)[C@@H](F)C[C@H]4[C@@H]2C[C@H]3C)C)C)CC
(2)InChI: InChI=1/C24H30F2O6/c1-5-19(29)32-24(20(30)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/h6-7,9,12,14-15,17-18,28H,5,8,10-11H2,1-4H3,(H,30,31)/t12-,14+,15+,17+,18+,21+,22+,23+,24+/m1/s1
(3)InChIKey: DEDYNJVITFVPOG-CQRCZTONBV
(4)Std. InChI: InChI=1S/C24H30F2O6/c1-5-19(29)32-24(20(30)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/h6-7,9,12,14-15,17-18,28H,5,8,10-11H2,1-4H3,(H,30,31)/t12-,14+,15+,17+,18+,21+,22+,23+,24+/m1/s1
(5)Std. InChIKey: DEDYNJVITFVPOG-CQRCZTONSA-N