norethindrone acetate

Norethisterone acetate structural formula

Norethisterone acetate structural formula

Structural formula

Business number 015C
Molecular formula C22H28O3
Molecular weight 340.46
label

norethindrone acetate,

17β-Hydroxy 9-nor-17α-pregnant-4-en-20-yn-3-one-17-acetate,

17α-Ethynyl-19-nortestosterone 17β-acetate,

17-Hydroxy-19-nor-17α-4-pregnen-20-yn-3-one acetate,

19-Norethindrone acetate,

19-Norethisterone 17-acetate,

17α-Ethynyl-17β-hydroxy-19-nor-4-androsten-3-one 17-acetate

Numbering system

CAS number:51-98-9

MDL number:MFCD00198397

EINECS number:200-132-0

RTECS number:RC8965000

BRN number:None

PubChem number:24897767

Physical property data

1. Character:White or off-white crystalline powder


2. Density (g/mL,25/4): Undetermined


3. Relative vapor density (g/mL,AIR=1): Undetermined


4. Melting point (ºC):202-208


5. Boiling point (ºC,Normal pressure): Undetermined


6. Boiling point (ºC,5.2kPa): Undetermined


7. Refractive index: undetermined


8. Flashpoint (ºC): Undetermined


9. Specific optical rotation (º):Undetermined


10. Autoignition point or ignition temperature (ºC): Undetermined


11. Vapor pressure (kPa,25ºC): Undetermined


12. Saturated vapor pressure (kPa,60ºC): Undetermined


13. Heat of combustion (KJ/mol): Undetermined


14. Critical temperature (ºC): Undetermined


15. Critical pressure (KPa): Undetermined


16. Oil and water (octanol/Log value of the partition coefficient of water) : Undetermined


17. Explosion limit (%,V/V): Undetermined


18. Lower explosion limit (%,V/V): Undetermined


19. Solubility: Undetermined

Toxicological data

None yet

Ecological data

None yet

Molecular structure data

1. Molar refractive index: 99.79


2. Molar volume (m3/mol):312


3. isotonic specific volume (90.2K):810.1


4. Surface Tension (dyne/cm):45.4


5. Dipole moment ( D):(1D=3.33×10-30C·m)


6. Polarizability10-24cm3):39.56

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP):3.5


2. Number of hydrogen bond donors: 0


3. Number of hydrogen bond acceptors: 3


4. Number of rotatable chemical bonds: 3


5. Number of tautomers: 8


6. Topological molecular polar surface area (TPSA):43.4


7. Number of heavy atoms: 25


8. �Surface charge: 0


9. Complexity: 695


10. Number of isotope atoms: 0


11. Determine the number of atomic stereocenters: 6


12. The number of uncertain atomic stereocenters: 0


13. Determine the number of stereocenters of chemical bonds: 0


14. Uncertain number of chemical bond stereocenters: 0


15. Number of covalent bond units: 1

Properties and stability

None yet

Storage method

This product should be sealed and stored in a cool, dry place.

Synthesis method

With4-Dimethylaminopyridine(DMAP) is a catalyst to react norethindrone and acetic anhydride to directly obtain norethindrone-17-acetate.

Purpose

Progesterone drugs, used for irregular menstruation; functional uterine bleeding; endometriosis, etc.

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