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3562-63-8

3562-63-8 structural image
Product Name: Megestrol
Formula: C22H30O3
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CHEMICAL AND PHYSICAL PROPERTIES

Odor Odorless
Taste Tasteless
Solubility WHITE OR ALMOST WHITE, CRYSTALLINE POWDER; SPARINGLY SOL IN ALC; SLIGHTLY SOL IN ETHER & FIXED OILS; SOL IN ACETONE; VERY SOL IN CHLOROFORM /ACETATE/
Collision Cross Section 202.21 Ų [M+Cl]- 198.71 Ų [M+H]+
Other Experimental Properties Crystals. MW: 384.50, mp 214-216 °C. Soluble in water. /Megestrol acetate/

COMPUTED DESCRIPTORS

Molecular Weight 342.5 g/mol
XLogP3 2.6
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 1
Exact Mass 342.21949481 g/mol
Monoisotopic Mass 342.21949481 g/mol
Topological Polar Surface Area 54.4 Ų
Heavy Atom Count 25
Formal Charge 0
Complexity 717
Isotope Atom Count 0
Defined Atom Stereocenter Count 6
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

Megestrol is a 3-oxo Delta(4)-steroid that is pregna-4,6-diene-3,20-dione substituted by a methyl group at position 6 and a hydroxy group at position 17. It has a role as a contraceptive drug, an antineoplastic agent, an appetite enhancer, a progestin and a synthetic oral contraceptive. It is a 20-oxo steroid, a 17alpha-hydroxy steroid, a 3-oxo-Delta(4) steroid and a tertiary alpha-hydroxy ketone.

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