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68-22-4

68-22-4 structural image
Product Name: Norethindrone
Formula: C20H26O2
Synonyms: Norethindrone;19-Norethindrone;ELK;EPB1;Eph receptor B1
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Color/Form White crystalline powder
Odor ODORLESS
Taste Slightly bitter taste
Melting Point 202-208C
Solubility PRACTICALLY INSOL IN WATER; SOL IN CHLOROFORM, ETHER, DIOXANE; SOL @ 25 °C: 1 IN 12.5 PARTS 95% ETHANOL, 1 IN 4 PARTS ACETONE /ACETATE/
Vapor Pressure 3.14x10-7 mmHg
LogP log Kow = 2.97
Stability/Shelf Life ... Unstable in the presence of air and light.
Optical Rotation Specific optical rotation: -31.7 at 20 °C/D (chloroform); first reported as -25 at 20 °C/D (chloroform)
Decomposition When heated to decomposition, it emits acrid smoke and fumes.
Collision Cross Section 174.4 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]
Other Experimental Properties WHITE TO CREAMY WHITE CRYSTALS OR CRYSTALLINE POWDER /ACETATE/

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Health Hazard
GHS08

Environment
GHS09
GHS Hazard Statements H351:Carcinogenicity
H362:Reproductive toxicity, effects on or via lactation
H410:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes P202:Do not handle until all safety precautions have been read and understood.
P260:Do not breathe dust/fume/gas/mist/vapours/spray.
P263:Avoid contact during pregnancy/while nursing.
P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P273:Avoid release to the environment.
P308+P313:IF exposed or concerned: Get medical advice/attention.

COMPUTED DESCRIPTORS

Molecular Weight 298.4 g/mol
XLogP3 3
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 1
Exact Mass 298.193280068 g/mol
Monoisotopic Mass 298.193280068 g/mol
Topological Polar Surface Area 37.3 Ų
Heavy Atom Count 22
Formal Charge 0
Complexity 594
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

Norethisterone is a 17beta-hydroxy steroid that is testosterone in which the hydrogen at position 17 is replaced by an ethynyl group and in which the methyl group attached to position 10 is replaced by hydrogen. It has a role as a synthetic oral contraceptive and a progestin. It is a 17beta-hydroxy steroid, a terminal acetylenic compound, a tertiary alcohol and a 3-oxo-Delta(4) steroid. It derives from a hydride of an estrane.

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