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2135-17-3

2135-17-3 structural image
Product Name: Flumethasone
Formula: C22H28F2O5
Synonyms: 6α,9α-Difluoro-16α-methyl-11β,17α,21-trihydroxy-1,4-pregnadiene-3,20-dione;6α,9α-Difluoro-16α-methylprednisolone;6α-Fluorodexamethasone
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CHEMICAL AND PHYSICAL PROPERTIES

Melting Point 219 °C (base only)
Solubility 0.392 mg/L
LogP 3.86
Collision Cross Section 189.2 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Health Hazard
GHS08
GHS Hazard Statements H351:Carcinogenicity
Precautionary Statement Codes P281:Use personal protective equipment as required.

COMPUTED DESCRIPTORS

Molecular Weight 410.5 g/mol
XLogP3 1.9
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 2
Exact Mass 410.19048031 g/mol
Monoisotopic Mass 410.19048031 g/mol
Topological Polar Surface Area 94.8 Ų
Heavy Atom Count 29
Formal Charge 0
Complexity 839
Isotope Atom Count 0
Defined Atom Stereocenter Count 9
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Flumethasone is a fluorinated steroid, a glucocorticoid, an 11beta-hydroxy steroid, a 17alpha-hydroxy steroid, a 21-hydroxy steroid, a 20-oxo steroid, a 3-oxo-Delta(1),Delta(4)-steroid, a primary alpha-hydroxy ketone and a tertiary alpha-hydroxy ketone. It has a role as an anti-inflammatory drug. It derives from a hydride of a pregnane.

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