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127-31-1

127-31-1 structural image
Product Name: Fludrocortisone
Formula: C21H29FO5
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Color/Form Crystals
Solubility In water, 140 mg/L at 25 °C
LogP log Kow = 1.67
Stability/Shelf Life Fludrocortisone acetate tablets should be stored in well-closed containers at room temperature; excessive heat should be avoided. /Fludrocortisone acetate/
Optical Rotation Specific optical rotation: 139 deg at 23 °C/D (c= 0.55 in 95% ethanol)
Other Experimental Properties DECOMPOSES @ 260-262 °C

COMPUTED DESCRIPTORS

Molecular Weight 380.4 g/mol
XLogP3 1.7
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 2
Exact Mass 380.19990218 g/mol
Monoisotopic Mass 380.19990218 g/mol
Topological Polar Surface Area 94.8 Ų
Heavy Atom Count 27
Formal Charge 0
Complexity 734
Isotope Atom Count 0
Defined Atom Stereocenter Count 7
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

Fludrocortisone is a C21-steroid, a 3-oxo-Delta(4) steroid, a 20-oxo steroid, a 21-hydroxy steroid, a fluorinated steroid, a mineralocorticoid, a 17alpha-hydroxy steroid and an 11beta-hydroxy steroid. It has a role as an adrenergic agent and an anti-inflammatory drug. It derives from a hydride of a pregnane.