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54048-10-1

54048-10-1 structural image
Product Name: Etonogestrel
Formula: C22H28O2
Synonyms: (17α)-13-Ethyl-17-hydroxy-11-methylene-18,19-dinorpregn-4-en-20-yn-3-one;3-Keto-desogestrel;3-Oxo-desogestrel;Etonogestrel
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Boiling Point 473.1ºC at 760 mmHg
Melting Point 196-200ºC
Solubility Insoluble
LogP 3.32
Dissociation Constants 10.4

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Health Hazard
GHS08
GHS Hazard Statements H351:Carcinogenicity
H360:Reproductive toxicity
Precautionary Statement Codes P201:Obtain special instructions before use.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P308+P313:IF exposed or concerned: Get medical advice/attention.

COMPUTED DESCRIPTORS

Molecular Weight 324.5 g/mol
XLogP3 3.3
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 2
Exact Mass 324.208930132 g/mol
Monoisotopic Mass 324.208930132 g/mol
Topological Polar Surface Area 37.3 Ų
Heavy Atom Count 24
Formal Charge 0
Complexity 677
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

Etonogestrel is a 17beta-hydroxy steroid, a 3-oxo-Delta(4) steroid and a terminal acetylenic compound. It has a role as a contraceptive drug, a progestin and a female contraceptive drug.