9,11-Dehydro Flunisolide Acetate

CAT: 1134-ESS0423-01Size: 10 mgDry Ice: NoHazardous: Yes

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CAT#:1134-ESS0423-01Size:10 mg

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CAS Number

5049-89-8

GHS Codes

GHS06

P Phrases

P201, P202, P260, P264, P280

Structure Composition

C 68.11% H 6.81% F 4.14% O 20.94%

Synonyms

(6α,16α) -21- (Acetyloxy) -6-fluoro-16,17-[ (1-methylethylidene) bis (oxy) ]-pregna-1,4,9 (11) -triene-3,20-dione; 2H-Naphth[2′,1′:4,5]indeno[1,2-d][1,3]dioxole Pregna-1,4,9 (11) -triene-3,20-dione Derivative; 6α-Fluoro-16α,17,21-trihydroxy-pregna-1,4,9 (11) -triene-3,20-dione 21-Acetate Cyclic 16,17-Acetal with Acetone; 2- ((2S,6aR,8aS,8bS,11aR,12aS,12bS) -2-Fluoro-6a,8a,10,10-tetramethyl-4-oxo-2,4,6a,8,8a,8b,11a,12,12a,12b-decahydro-1H-naphtho[2′,1′:4,5]indeno[1,2-d][1,3]dioxol-8b-yl) -2-oxoethyl Acetate

UN Code

2811

H Phrases

H300

UDF Signal Word

Danger

Hazard Statement

6.1

Applications

Flunisolide Impurity

Molecular Formula

C26H31FO6

Molecular Weight

458.53177

Packaging Group

Shipping Conditions

Room temerature

Storage Conditions

Freezer @ -20ºC

Hazardous Class

6.1

Chemical Information

9,11-Dehydro Flunisolide Acetate

CAS Number	5049-89-8
PubChem CID	135639083
IUPAC Name	[2-[(4R,8S,9S,13R,19S)-19-fluoro-6,6,9,13-tetramethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-11,14,17-trien-8-yl]-2-oxoethyl] acetate
Molecular Formula	C26H31FO6
Molecular Weight	458.5
XLogP	2.6
Topological Polar Surface Area	78.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Heavy Atom Count	33
Formal Charge	0
Complexity	1040

SMILES

CC(=O)OCC(=O)[C@@]12[C@@H](CC3[C@@]1(CC=C4C3C[C@@H](C5=CC(=O)C=C[C@]45C)F)C)OC(O2)(C)C

InChI

InChI=1S/C26H31FO6/c1-14(28)31-13-21(30)26-22(32-23(2,3)33-26)12-18-16-11-20(27)19-10-15(29)6-8-24(19,4)17(16)7-9-25(18,26)5/h6-8,10,16,18,20,22H,9,11-13H2,1-5H3/t16?,18?,20-,22+,24+,25-,26+/m0/s1

InChIKey

KWCRYAKNMDCXSU-FRXWPNSNSA-N

Chemical Structure

2D Structure

CAS: 5049-89-8

CID: 135639083

Formula: C26H31FO6

MW: 458.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	458.5
XLogP3	2.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Exact Mass	458.21046687
Monoisotopic Mass	458.21046687
Topological Polar Surface Area	78.9 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	1040
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
ESS0424-01	9,11-Dehydro Flunisolide
ESS0421-01	11-Keto Flunisolide Acetate
ESS0502-01	21-Dehydro Flunisolide
ESS0504-01	Flunisolide-9β,11β-epoxide
ESS0495-01	9,11-Dehydro Desonide-21-Acetate
ESS0427-01	21-Dehydro Flunisolide
ESS0505-01	9α-Bromo Flunisolide-21-Acetate
ESS0420-01	Flunisolide Acetate
ESS0425-01	Flunisolide Acetate-D6
ESS0496-01	9,11-Dehydro Desonide

Alternative Products

Catalog	Name
421437	25,25-Dimethyl-11-oxo-flunisolide Acetate
421438-01	25,25-Dimethyl-11-oxo-flunisolide Acetate-d3
TRC-D229430-10MG	21-Dehydro Flunisolide
450154-01	Flunisolide Acetate
TRC-F500482-2.5MG	Flunisolide Acetate-d6
TRC-M295312-100MG	16Alpha-Methyl-d3-9,11-dehydro Prednisolone 21-Acetate
158915	16α-Methyl-d3-9,11-dehydro Prednisolone 21-Acetate
TRC-K188865-10MG	11-Keto Flunisolide
421435	25,25-Dimethyl Flunisolide Acetate
AR-C03573-01	Δ9 (11) -Hydrocortisone Acetate

9,11-Dehydro Flunisolide Acetate

Chemical Information

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