norethindrone acetate

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
• physical property data
• toxicological data
• ecological data
• molecular structure data
• computing chemical data
• more
  • properties and stability
  • storage method
  • synthesis method
  • purpose

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. polarizability（10^-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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